 Entering Gaussian System, Link 0=g16
 Input=21_phenylethanol_conformer01_STD_wB97XD_augccpVDZ.in
 Output=21_phenylethanol_conformer01_STD_wB97XD_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/Gau-19223.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     19225.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=21_phenylethanol_conformer01_STD_wB97XD_augccpVDZ
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 22:10:06 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "21_phenylethanol_conformer01_STD_wB97XD_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  O                                                 2.166220000000     -0.541659000000      1.195302000000
  C                                                 1.646020000000     -0.400115000000     -0.135719000000
  H                                                 1.838555000000      0.193959000000      1.725431000000
  H                                                 1.824407000000     -1.375317000000     -0.592567000000
  C                                                 2.427578000000      0.650046000000     -0.915467000000
  C                                                 0.150400000000     -0.165668000000     -0.105785000000
  H                                                 2.328899000000      1.638727000000     -0.463185000000
  H                                                 2.074000000000      0.712216000000     -1.946429000000
  H                                                 3.485412000000      0.387513000000     -0.919933000000
  C                                                -0.725222000000     -1.234479000000     -0.286837000000
  C                                                -2.100455000000     -1.052102000000     -0.214220000000
  C                                                -2.622082000000      0.208958000000      0.048005000000
  C                                                -1.759833000000      1.283245000000      0.232897000000
  C                                                -0.385458000000      1.096625000000      0.152590000000
  H                                                -0.321703000000     -2.220444000000     -0.483457000000
  H                                                -2.764487000000     -1.894375000000     -0.360877000000
  H                                                -3.693001000000      0.354600000000      0.105456000000
  H                                                -2.158100000000      2.269728000000      0.433453000000
  H                                                 0.270579000000      1.947610000000      0.286902000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          16          12           1           1          12          12           1           1           1          12
 AtmWgt=  15.9949146  12.0000000   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000
 NucSpn=           0           0           1           1           0           0           1           1           1           0
 AtZEff=   5.6000000   3.6000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   8.0000000   6.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=          12          12          12          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 22:10:07 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0        2.166220   -0.541659    1.195302
      2          6           0        1.646020   -0.400115   -0.135719
      3          1           0        1.838555    0.193959    1.725431
      4          1           0        1.824407   -1.375317   -0.592567
      5          6           0        2.427578    0.650046   -0.915467
      6          6           0        0.150400   -0.165668   -0.105785
      7          1           0        2.328899    1.638727   -0.463185
      8          1           0        2.074000    0.712216   -1.946429
      9          1           0        3.485412    0.387513   -0.919933
     10          6           0       -0.725222   -1.234479   -0.286837
     11          6           0       -2.100455   -1.052102   -0.214220
     12          6           0       -2.622082    0.208958    0.048005
     13          6           0       -1.759833    1.283245    0.232897
     14          6           0       -0.385458    1.096625    0.152590
     15          1           0       -0.321703   -2.220444   -0.483457
     16          1           0       -2.764487   -1.894375   -0.360877
     17          1           0       -3.693001    0.354600    0.105456
     18          1           0       -2.158100    2.269728    0.433453
     19          1           0        0.270579    1.947610    0.286902
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  O    0.000000
     2  C    1.436057   0.000000
     3  H    0.964124   1.963128   0.000000
     4  H    2.002073   1.091582   2.799275   0.000000
     5  C    2.437994   1.523705   2.743958   2.137797   0.000000
     6  C    2.428524   1.514180   2.516456   2.121911   2.550787
     7  H    2.744290   2.174956   2.667926   3.058711   1.091690
     8  H    3.383959   2.167745   3.715721   2.500607   1.091680
     9  H    2.660422   2.149119   3.122107   2.444110   1.089934
    10  C    3.322224   2.518291   3.558456   2.571753   3.726494
    11  C    4.522369   3.803594   4.564068   3.956281   4.887958
    12  C    4.980718   4.315254   4.765634   4.763562   5.159642
    13  C    4.435131   3.816990   4.045071   4.538295   4.387948
    14  C    3.206600   2.539735   2.869646   3.398420   3.041932
    15  H    3.438940   2.703045   3.921128   2.309098   3.998111
    16  H    5.344474   4.662197   5.468255   4.623965   5.808544
    17  H    6.026733   5.397491   5.766128   5.824229   6.212170
    18  H    5.213833   4.682237   4.685219   5.495401   5.046920
    19  H    3.258083   2.753590   2.757391   3.772226   2.789625
                    6          7          8          9         10
     6  C    0.000000
     7  H    2.851216   0.000000
     8  H    2.803371   1.767317   0.000000
     9  H    3.477233   1.763995   1.775165   0.000000
    10  C    1.393503   4.196912   3.792033   4.556436   0.000000
    11  C    2.421543   5.188615   4.851746   5.811405   1.389173
    12  C    2.801902   5.178587   5.126814   6.186297   2.407012
    13  C    2.421372   4.162767   4.446775   5.444626   2.771187
    14  C    1.395452   2.835628   3.256161   4.078821   2.396368
    15  H    2.141873   4.681805   4.059578   4.635308   1.083335
    16  H    3.398539   6.199666   5.720074   6.676885   2.144655
    17  H    3.884203   6.183495   6.131592   7.251353   3.389215
    18  H    3.398691   4.619013   5.099054   6.101116   3.853754
    19  H    2.152810   2.212402   3.125107   3.771671   3.383266
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.389651   0.000000
    13  C    2.402037   1.389874   0.000000
    14  C    2.773588   2.408605   1.389310   0.000000
    15  H    2.145104   3.387653   3.854506   3.378101   0.000000
    16  H    1.082530   2.147434   3.385139   3.856100   2.467497
    17  H    2.148768   1.082303   2.148432   3.390083   4.282910
    18  H    3.384872   2.147236   1.082584   2.144135   4.937076
    19  H    3.856319   3.383411   2.137024   1.082866   4.279828
                   16         17         18         19
    16  H    0.000000
    17  H    2.477396   0.000000
    18  H    4.282338   2.476130   0.000000
    19  H    4.938835   4.275578   2.454327   0.000000
 Stoichiometry    C8H10O
 Framework group  C1[X(C8H10O)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.42D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0        2.166220   -0.541659    1.195302
      2          6           0        1.646020   -0.400115   -0.135719
      3          1           0        1.838555    0.193959    1.725431
      4          1           0        1.824407   -1.375317   -0.592567
      5          6           0        2.427578    0.650046   -0.915467
      6          6           0        0.150400   -0.165668   -0.105785
      7          1           0        2.328899    1.638727   -0.463185
      8          1           0        2.074000    0.712216   -1.946429
      9          1           0        3.485412    0.387513   -0.919933
     10          6           0       -0.725222   -1.234479   -0.286837
     11          6           0       -2.100455   -1.052102   -0.214220
     12          6           0       -2.622082    0.208958    0.048005
     13          6           0       -1.759833    1.283245    0.232897
     14          6           0       -0.385458    1.096625    0.152590
     15          1           0       -0.321703   -2.220444   -0.483457
     16          1           0       -2.764487   -1.894375   -0.360877
     17          1           0       -3.693001    0.354600    0.105456
     18          1           0       -2.158100    2.269728    0.433453
     19          1           0        0.270579    1.947610    0.286902
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4676766           1.1011704           0.9798041
 Leave Link  202 at Thu Aug 12 22:10:07 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       3      4      7      8      9     15     16     17     18     19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      5      6     10     11     12     13     14
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  27 primitive shells out of 332 were deleted.
 There are   315 symmetry adapted cartesian basis functions of A   symmetry.
 There are   297 symmetry adapted basis functions of A   symmetry.
   297 basis functions,   543 primitive gaussians,   315 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       424.8829512949 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0103899657 Hartrees.
 Nuclear repulsion after empirical dispersion term =      424.8725613293 Hartrees.
 Leave Link  301 at Thu Aug 12 22:10:09 2021, MaxMem=  5368709120 cpu:              17.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   297 RedAO= T EigKep=  1.72D-06  NBF=   297
 NBsUse=   297 1.00D-06 EigRej= -1.00D+00 NBFU=   297
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   315   315   315   315   315 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 22:10:10 2021, MaxMem=  5368709120 cpu:               4.0 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 22:10:10 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "21_phenylethanol_conformer01_STD_wB97XD_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 22:10:11 2021, MaxMem=  5368709120 cpu:               4.1 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368505071 LenY=  5368405405
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -386.008458274021    
 DIIS: error= 2.00D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -386.008458274021     IErMin= 1 ErrMin= 2.00D-03
 ErrMax= 2.00D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.90D-03 BMatP= 4.90D-03
 IDIUse=3 WtCom= 9.80D-01 WtEn= 2.00D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.379 Goal=   None    Shift=    0.000
 GapD=    0.379 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=4.49D-02 MaxDP=2.49D+00              OVMax= 1.61D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  3.81D-02    CP:  1.46D+00
 E= -386.012504734979     Delta-E=       -0.004046460958 Rises=F Damp=F
 DIIS: error= 2.76D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -386.012504734979     IErMin= 2 ErrMin= 2.76D-04
 ErrMax= 2.76D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.38D-05 BMatP= 4.90D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.76D-03
 Coeff-Com: -0.508D-01 0.105D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.506D-01 0.105D+01
 Gap=     0.365 Goal=   None    Shift=    0.000
 RMSDP=7.37D-03 MaxDP=4.20D-01 DE=-4.05D-03 OVMax= 5.06D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.29D-03    CP:  1.54D+00  1.16D+00
 E= -386.012617617990     Delta-E=       -0.000112883011 Rises=F Damp=F
 DIIS: error= 2.19D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -386.012617617990     IErMin= 3 ErrMin= 2.19D-04
 ErrMax= 2.19D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.94D-05 BMatP= 8.38D-05
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.19D-03
 Coeff-Com: -0.362D-01 0.469D+00 0.567D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.361D-01 0.468D+00 0.568D+00
 Gap=     0.365 Goal=   None    Shift=    0.000
 RMSDP=4.59D-04 MaxDP=2.50D-02 DE=-1.13D-04 OVMax= 1.86D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.17D-05    CP:  1.54D+00  1.17D+00  1.08D+00
 E= -386.012655196793     Delta-E=       -0.000037578803 Rises=F Damp=F
 DIIS: error= 6.21D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -386.012655196793     IErMin= 4 ErrMin= 6.21D-05
 ErrMax= 6.21D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.27D-06 BMatP= 4.94D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.186D-03-0.596D-01 0.154D+00 0.906D+00
 Coeff:     -0.186D-03-0.596D-01 0.154D+00 0.906D+00
 Gap=     0.365 Goal=   None    Shift=    0.000
 RMSDP=2.68D-04 MaxDP=1.41D-02 DE=-3.76D-05 OVMax= 7.93D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  6.60D-05    CP:  1.54D+00  1.17D+00  1.16D+00  1.54D+00
 E= -386.012658986434     Delta-E=       -0.000003789641 Rises=F Damp=F
 DIIS: error= 2.00D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -386.012658986434     IErMin= 5 ErrMin= 2.00D-05
 ErrMax= 2.00D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.69D-07 BMatP= 3.27D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.245D-02-0.488D-01 0.464D-02 0.237D+00 0.805D+00
 Coeff:      0.245D-02-0.488D-01 0.464D-02 0.237D+00 0.805D+00
 Gap=     0.365 Goal=   None    Shift=    0.000
 RMSDP=2.91D-05 MaxDP=1.60D-03 DE=-3.79D-06 OVMax= 2.21D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.44D-05    CP:  1.54D+00  1.17D+00  1.17D+00  1.63D+00  1.27D+00
 E= -386.012659229755     Delta-E=       -0.000000243321 Rises=F Damp=F
 DIIS: error= 5.26D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -386.012659229755     IErMin= 6 ErrMin= 5.26D-06
 ErrMax= 5.26D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.38D-08 BMatP= 1.69D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.737D-03-0.104D-01-0.830D-02 0.612D-02 0.278D+00 0.733D+00
 Coeff:      0.737D-03-0.104D-01-0.830D-02 0.612D-02 0.278D+00 0.733D+00
 Gap=     0.365 Goal=   None    Shift=    0.000
 RMSDP=1.76D-05 MaxDP=1.06D-03 DE=-2.43D-07 OVMax= 5.89D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.77D-06    CP:  1.54D+00  1.17D+00  1.16D+00  1.67D+00  1.33D+00
                    CP:  1.00D+00
 E= -386.012659259187     Delta-E=       -0.000000029432 Rises=F Damp=F
 DIIS: error= 1.75D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -386.012659259187     IErMin= 7 ErrMin= 1.75D-06
 ErrMax= 1.75D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.81D-09 BMatP= 2.38D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.288D-04 0.247D-02-0.324D-02-0.303D-01-0.813D-02 0.249D+00
 Coeff-Com:  0.791D+00
 Coeff:     -0.288D-04 0.247D-02-0.324D-02-0.303D-01-0.813D-02 0.249D+00
 Coeff:      0.791D+00
 Gap=     0.365 Goal=   None    Shift=    0.000
 RMSDP=9.31D-06 MaxDP=6.01D-04 DE=-2.94D-08 OVMax= 2.75D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.60D-06    CP:  1.54D+00  1.17D+00  1.16D+00  1.68D+00  1.35D+00
                    CP:  1.08D+00  1.07D+00
 E= -386.012659263071     Delta-E=       -0.000000003884 Rises=F Damp=F
 DIIS: error= 6.52D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -386.012659263071     IErMin= 8 ErrMin= 6.52D-07
 ErrMax= 6.52D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.94D-10 BMatP= 2.81D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.851D-04 0.198D-02-0.355D-03-0.130D-01-0.317D-01 0.235D-01
 Coeff-Com:  0.328D+00 0.692D+00
 Coeff:     -0.851D-04 0.198D-02-0.355D-03-0.130D-01-0.317D-01 0.235D-01
 Coeff:      0.328D+00 0.692D+00
 Gap=     0.365 Goal=   None    Shift=    0.000
 RMSDP=1.81D-06 MaxDP=9.67D-05 DE=-3.88D-09 OVMax= 7.81D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.35D-07    CP:  1.54D+00  1.17D+00  1.16D+00  1.68D+00  1.35D+00
                    CP:  1.09D+00  1.11D+00  1.00D+00
 E= -386.012659263601     Delta-E=       -0.000000000529 Rises=F Damp=F
 DIIS: error= 1.12D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -386.012659263601     IErMin= 9 ErrMin= 1.12D-07
 ErrMax= 1.12D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.40D-11 BMatP= 3.94D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.142D-04 0.195D-03 0.166D-03-0.143D-03-0.549D-02-0.151D-01
 Coeff-Com:  0.299D-02 0.136D+00 0.881D+00
 Coeff:     -0.142D-04 0.195D-03 0.166D-03-0.143D-03-0.549D-02-0.151D-01
 Coeff:      0.299D-02 0.136D+00 0.881D+00
 Gap=     0.365 Goal=   None    Shift=    0.000
 RMSDP=3.47D-07 MaxDP=1.41D-05 DE=-5.29D-10 OVMax= 1.91D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.24D-07    CP:  1.54D+00  1.17D+00  1.16D+00  1.68D+00  1.35D+00
                    CP:  1.09D+00  1.12D+00  1.06D+00  1.06D+00
 E= -386.012659263611     Delta-E=       -0.000000000011 Rises=F Damp=F
 DIIS: error= 3.95D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -386.012659263611     IErMin=10 ErrMin= 3.95D-08
 ErrMax= 3.95D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.19D-12 BMatP= 1.40D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.518D-05-0.162D-03 0.925D-04 0.152D-02 0.186D-02-0.822D-02
 Coeff-Com: -0.365D-01-0.329D-01 0.292D+00 0.782D+00
 Coeff:      0.518D-05-0.162D-03 0.925D-04 0.152D-02 0.186D-02-0.822D-02
 Coeff:     -0.365D-01-0.329D-01 0.292D+00 0.782D+00
 Gap=     0.365 Goal=   None    Shift=    0.000
 RMSDP=1.75D-07 MaxDP=8.74D-06 DE=-1.07D-11 OVMax= 6.58D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.64D-08    CP:  1.54D+00  1.17D+00  1.16D+00  1.68D+00  1.35D+00
                    CP:  1.09D+00  1.13D+00  1.07D+00  1.10D+00  1.13D+00
 E= -386.012659263628     Delta-E=       -0.000000000016 Rises=F Damp=F
 DIIS: error= 1.28D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -386.012659263628     IErMin=11 ErrMin= 1.28D-08
 ErrMax= 1.28D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.52D-13 BMatP= 2.19D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.239D-05-0.577D-04 0.675D-05 0.429D-03 0.879D-03-0.116D-02
 Coeff-Com: -0.959D-02-0.188D-01 0.137D-01 0.205D+00 0.809D+00
 Coeff:      0.239D-05-0.577D-04 0.675D-05 0.429D-03 0.879D-03-0.116D-02
 Coeff:     -0.959D-02-0.188D-01 0.137D-01 0.205D+00 0.809D+00
 Gap=     0.365 Goal=   None    Shift=    0.000
 RMSDP=3.66D-08 MaxDP=2.26D-06 DE=-1.64D-11 OVMax= 2.37D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  9.53D-09    CP:  1.54D+00  1.17D+00  1.16D+00  1.68D+00  1.35D+00
                    CP:  1.09D+00  1.12D+00  1.07D+00  1.10D+00  1.16D+00
                    CP:  1.03D+00
 E= -386.012659263627     Delta-E=        0.000000000001 Rises=F Damp=F
 DIIS: error= 6.76D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -386.012659263628     IErMin=12 ErrMin= 6.76D-09
 ErrMax= 6.76D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.75D-14 BMatP= 1.52D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.134D-06 0.836D-05-0.136D-04-0.101D-03-0.502D-04 0.828D-03
 Coeff-Com:  0.273D-02-0.110D-03-0.349D-01-0.577D-01 0.164D+00 0.925D+00
 Coeff:     -0.134D-06 0.836D-05-0.136D-04-0.101D-03-0.502D-04 0.828D-03
 Coeff:      0.273D-02-0.110D-03-0.349D-01-0.577D-01 0.164D+00 0.925D+00
 Gap=     0.365 Goal=   None    Shift=    0.000
 RMSDP=7.39D-09 MaxDP=2.14D-07 DE= 5.68D-13 OVMax= 1.53D-07

 SCF Done:  E(RwB97XD) =  -386.012659264     A.U. after   12 cycles
            NFock= 12  Conv=0.74D-08     -V/T= 2.0060
 KE= 3.836938492441D+02 PE=-1.747265759258D+03 EE= 5.526866894213D+02
 Leave Link  502 at Thu Aug 12 22:14:06 2021, MaxMem=  5368709120 cpu:            1872.9 elap:             234.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   297
 NBasis=   297 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    297 NOA=    33 NOB=    33 NVA=   264 NVB=   264

 **** Warning!!: The largest alpha MO coefficient is  0.15259662D+03

 Leave Link  801 at Thu Aug 12 22:14:06 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5873 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.45D-13 8.33D-09 XBig12= 1.00D+00 3.47D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.45D-13 8.33D-09 XBig12= 2.05D-01 8.10D-02.
     11 vectors produced by pass  2 Test12= 1.45D-13 8.33D-09 XBig12= 3.71D-02 5.44D-02.
     11 vectors produced by pass  3 Test12= 1.45D-13 8.33D-09 XBig12= 2.97D-03 1.34D-02.
     11 vectors produced by pass  4 Test12= 1.45D-13 8.33D-09 XBig12= 3.70D-04 4.32D-03.
     11 vectors produced by pass  5 Test12= 1.45D-13 8.33D-09 XBig12= 2.46D-05 6.23D-04.
     11 vectors produced by pass  6 Test12= 1.45D-13 8.33D-09 XBig12= 9.12D-07 1.61D-04.
     11 vectors produced by pass  7 Test12= 1.45D-13 8.33D-09 XBig12= 2.28D-08 3.15D-05.
     11 vectors produced by pass  8 Test12= 1.45D-13 8.33D-09 XBig12= 4.86D-10 5.10D-06.
     10 vectors produced by pass  9 Test12= 1.45D-13 8.33D-09 XBig12= 9.56D-12 4.69D-07.
      7 vectors produced by pass 10 Test12= 1.45D-13 8.33D-09 XBig12= 1.62D-13 4.46D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 6.39D-14
 Solved reduced A of dimension   116 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.129504D+03
      2  0.983549D+00  0.104661D+03
      3 -0.149236D+01  0.551542D+01  0.746232D+02
 Isotropic polarizability for W=    0.085645      102.93 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.942856D+02 -0.401320D+01  0.783050D+01
      2   0.334750D+02  0.107189D+02  0.729132D+01
      3   0.608106D+02 -0.670573D+01 -0.151218D+02
      4   0.159640D+02 -0.833593D+02 -0.258166D+02
      5  -0.179376D+02 -0.264158D+02  0.191270D+02
      6  -0.106270D+02 -0.153895D+02  0.101256D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.339239D+00 -0.829768D+01 -0.244817D+01
      2   0.118934D+02 -0.101821D+02  0.544871D+01
      3   0.158444D+01  0.419304D+02  0.965433D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.599215D+00 -0.226808D+02 -0.168313D+02
      2   0.257681D+02 -0.151896D+02 -0.416835D+02
      3   0.199772D+02  0.116834D+03  0.157888D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.413692D+00 -0.513020D+00  0.609178D+00
      2  -0.513020D+00  0.119938D+01 -0.245093D+01
      3   0.609178D+00 -0.245093D+01 -0.974229D+00
 OR G Eigenvalues:    -2.5942    -0.5604     2.9660  Iso=     0.0628
 Eigenvectors:
   (1)  -0.110709   0.528722   0.841544
   (2)   0.969064   0.245365  -0.026672
   (3)  -0.220587   0.812557  -0.539530
 w=    0.085645 a.u., Optical Rotation Beta=      0.0628 au.
 Molar Mass =    122.1664 grams/mole, [Alpha] ( 5320.0 A) =       24.40 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   44253 ScalPx= 1.58D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.63D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.42D-14 2.78D-09 XBig12= 1.00D+00 4.56D-01.
     30 vectors produced by pass  1 Test12= 2.42D-14 2.78D-09 XBig12= 2.24D-02 3.44D-02.
     30 vectors produced by pass  2 Test12= 2.42D-14 2.78D-09 XBig12= 9.04D-04 7.79D-03.
     30 vectors produced by pass  3 Test12= 2.42D-14 2.78D-09 XBig12= 1.40D-05 6.21D-04.
     30 vectors produced by pass  4 Test12= 2.42D-14 2.78D-09 XBig12= 2.45D-07 6.22D-05.
     30 vectors produced by pass  5 Test12= 2.42D-14 2.78D-09 XBig12= 3.35D-09 7.19D-06.
     30 vectors produced by pass  6 Test12= 2.42D-14 2.78D-09 XBig12= 3.31D-11 5.48D-07.
     30 vectors produced by pass  7 Test12= 2.42D-14 2.78D-09 XBig12= 2.37D-13 4.45D-08.
      6 vectors produced by pass  8 Test12= 2.42D-14 2.78D-09 XBig12= 4.64D-15 7.51D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   246 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 3.67D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 3.67D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 5.16D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.129504D+03  0.983549D+00 -0.149236D+01
      2   0.983549D+00  0.104661D+03  0.551542D+01
      3  -0.149236D+01  0.551542D+01  0.746232D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.339239D+00 -0.829768D+01 -0.244817D+01
      2   0.118934D+02 -0.101821D+02  0.544871D+01
      3   0.158444D+01  0.419304D+02  0.965433D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.942856D+02 -0.401320D+01  0.783050D+01
      2   0.334750D+02  0.107189D+02  0.729132D+01
      3   0.608106D+02 -0.670573D+01 -0.151218D+02
      4   0.159640D+02 -0.833593D+02 -0.258166D+02
      5  -0.179376D+02 -0.264158D+02  0.191270D+02
      6  -0.106270D+02 -0.153895D+02  0.101256D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.529493D+01 -0.998374D+00  0.236720D+01 -0.244843D+01  0.198131D+01
      2  -0.998374D+00  0.748796D+00 -0.425229D+00  0.198131D+01 -0.299504D+01
      3   0.236720D+01 -0.425229D+00  0.268933D+01 -0.117573D+01 -0.589067D-02
                 6             7             8             9            10 
      1  -0.117573D+01  0.542879D+01 -0.102474D+01  0.393617D+01 -0.341956D+01
      2  -0.589067D-02 -0.102474D+01 -0.128297D+01 -0.310089D+01 -0.735593D-01
      3  -0.329227D+01  0.393617D+01 -0.310089D+01  0.293726D+01 -0.622620D+00
                11            12            13            14            15 
      1  -0.735593D-01 -0.622620D+00 -0.101652D+01 -0.239975D+01  0.197334D+01
      2  -0.720321D+00  0.158971D+01 -0.239975D+01  0.368231D+01  0.315969D+01
      3   0.158971D+01 -0.247894D+01  0.197334D+01  0.315969D+01  0.814721D-01
                16            17            18            19            20 
      1  -0.381854D+01  0.208181D+01 -0.526228D+01 -0.544292D+00  0.417653D+00
      2   0.208181D+01  0.356537D+01  0.167661D+01  0.417653D+00 -0.412892D+00
      3  -0.526228D+01  0.167661D+01 -0.181070D+01  0.102909D+00 -0.398935D+00
                21            22            23            24            25 
      1   0.102909D+00  0.198450D+01 -0.795594D-01  0.327844D+00  0.159729D+01
      2  -0.398935D+00 -0.795594D-01  0.213015D+01  0.176197D+01 -0.182938D+00
      3  -0.119629D+01  0.327844D+00  0.176197D+01  0.301334D+01  0.363760D+00
                26            27            28            29            30 
      1  -0.182938D+00  0.363760D+00  0.335272D+00 -0.116780D+01 -0.683703D+00
      2   0.182474D+01  0.126483D+01 -0.116780D+01  0.117450D+01  0.179972D+00
      3   0.126483D+01  0.409387D+01 -0.683703D+00  0.179972D+00  0.743634D+00
                31            32            33            34            35 
      1  -0.250181D+01  0.190721D+01  0.367414D+00 -0.971611D+00  0.396431D+00
      2   0.190721D+01 -0.595730D+01 -0.181326D+01  0.396431D+00 -0.221666D+01
      3   0.367414D+00 -0.181326D+01 -0.175218D+01  0.110526D+01 -0.162445D+01
                36            37            38            39            40 
      1   0.110526D+01 -0.843437D+01  0.217049D+01  0.557089D-01  0.474142D+01
      2  -0.162445D+01  0.217049D+01  0.132809D+01 -0.122028D+01  0.144359D+01
      3  -0.142620D+01  0.557089D-01 -0.122028D+01  0.314806D+01 -0.160962D+01
                41            42            43            44            45 
      1   0.144359D+01 -0.160962D+01 -0.140265D+01 -0.157247D+01  0.273612D+01
      2  -0.322552D+01 -0.305014D+01 -0.157247D+01 -0.299874D+01 -0.634039D+00
      3  -0.305014D+01 -0.296112D-01  0.273612D+01 -0.634039D+00  0.471247D+01
                46            47            48            49            50 
      1   0.166761D+02 -0.182315D+01  0.927432D+00 -0.298937D+01 -0.151440D+01
      2  -0.182315D+01  0.268102D+01  0.126411D-01 -0.151440D+01 -0.560495D+00
      3   0.927432D+00  0.126411D-01  0.226764D+01 -0.164294D+01 -0.382443D+00
                51            52            53            54            55 
      1  -0.164294D+01 -0.917281D+00 -0.108114D+01  0.386762D+01  0.110927D+01
      2  -0.382443D+00 -0.108114D+01 -0.216630D+00 -0.473314D+00  0.389385D+00
      3  -0.911784D-01  0.386762D+01 -0.473314D+00 -0.337751D+00  0.222517D+00
                56            57            58            59            60 
      1   0.389385D+00  0.222517D+00  0.174754D+01  0.871422D+00 -0.536203D-01
      2  -0.935727D-01  0.259710D+00  0.871422D+00  0.611858D+01  0.104569D+01
      3   0.259710D+00 -0.292345D+00 -0.536203D-01  0.104569D+01  0.168031D+01
                61            62            63            64            65 
      1   0.111241D+01  0.618406D+00 -0.989258D-01  0.751929D-01 -0.107275D+00
      2   0.618406D+00  0.212278D+01  0.115441D+01 -0.107275D+00 -0.505300D+00
      3  -0.989258D-01  0.115441D+01  0.569803D+00 -0.877172D+00  0.374950D+00
                66            67            68            69            70 
      1  -0.877172D+00 -0.416892D+00 -0.517391D-01  0.137505D+00 -0.176855D+01
      2   0.374950D+00 -0.517391D-01  0.695778D+00 -0.844214D+00 -0.183078D+00
      3  -0.199687D+01  0.137505D+00 -0.844214D+00  0.559662D+00  0.621090D-01
                71            72            73            74            75 
      1  -0.183078D+00  0.621090D-01  0.129856D+02 -0.462385D+00 -0.152351D+01
      2  -0.123141D+01  0.123561D+01 -0.462385D+00  0.111058D+01 -0.332130D-01
      3   0.123561D+01 -0.861442D+01 -0.152351D+01 -0.332130D-01  0.126147D+01
                76            77            78            79            80 
      1  -0.249633D+01  0.101144D+01  0.509781D+00 -0.311240D-01  0.160210D+00
      2   0.101144D+01 -0.286691D+00  0.166215D+00  0.160210D+00  0.329958D+00
      3   0.509781D+00  0.166215D+00 -0.513802D+00  0.103093D+01  0.195361D-01
                81            82            83            84            85 
      1   0.103093D+01 -0.500114D+01  0.278414D+01  0.123514D+00 -0.643201D+01
      2   0.195361D-01  0.278414D+01  0.293791D+01  0.282067D+00  0.358258D+00
      3  -0.728138D+00  0.123514D+00  0.282067D+00  0.140955D+01 -0.273292D+00
                86            87            88            89            90 
      1   0.358258D+00 -0.273292D+00 -0.119804D+01 -0.524194D+00  0.103874D+01
      2  -0.194871D+01  0.737566D+00 -0.524194D+00  0.101023D+01 -0.372418D+01
      3   0.737566D+00 -0.195167D+01  0.103874D+01 -0.372418D+01 -0.232286D+01
                91            92            93            94            95 
      1   0.219377D+01 -0.817540D+00  0.650377D-01 -0.606479D+01  0.651972D+00
      2  -0.817540D+00 -0.367402D+01 -0.764601D+00  0.651972D+00 -0.745522D+00
      3   0.650377D-01 -0.764601D+00 -0.192567D+01  0.580368D+00  0.120806D+01
                96            97            98            99           100 
      1   0.580368D+00 -0.131935D+01  0.598331D+00 -0.306662D+01 -0.628036D+01
      2   0.120806D+01  0.598331D+00  0.143810D+01 -0.334403D+01  0.241546D+00
      3  -0.202078D+01 -0.306662D+01 -0.334403D+01 -0.160663D+01 -0.218703D+00
               101           102           103           104           105 
      1   0.241546D+00 -0.218703D+00  0.842077D+00  0.821512D+00  0.147906D+01
      2  -0.354246D+01 -0.539437D-01  0.821512D+00 -0.257902D+00 -0.578792D+00
      3  -0.539437D-01 -0.326195D+01  0.147906D+01 -0.578792D+00  0.215107D+00
               106           107           108           109           110 
      1   0.767904D-01  0.127729D+01 -0.543793D+01  0.425283D+01 -0.678486D+00
      2   0.127729D+01 -0.169430D+00  0.484289D+00 -0.678486D+00 -0.248773D+01
      3  -0.543793D+01  0.484289D+00  0.600195D+00 -0.179573D+00  0.241706D-01
               111           112           113           114           115 
      1  -0.179573D+00  0.546597D+01 -0.466012D+00  0.257115D+00  0.118049D+01
      2   0.241706D-01 -0.466012D+00  0.182210D+01 -0.912976D+00  0.431220D+00
      3  -0.102520D+01  0.257115D+00 -0.912976D+00  0.239408D+01 -0.185116D+01
               116           117           118           119           120 
      1   0.431220D+00 -0.185116D+01 -0.424565D+01 -0.517856D+00 -0.560124D-01
      2  -0.110779D+01  0.394871D+01 -0.517856D+00  0.397378D+01  0.543203D+00
      3   0.394871D+01  0.247215D+01 -0.560124D-01  0.543203D+00  0.203853D+01
               121           122           123           124           125 
      1   0.847842D+01  0.270169D+00  0.210100D+00  0.190390D+01  0.148228D-01
      2   0.270169D+00  0.130998D+01 -0.579933D+00  0.148228D-01 -0.113197D+01
      3   0.210100D+00 -0.579933D+00  0.159169D+01  0.193183D+01  0.316356D+01
               126           127           128           129           130 
      1   0.193183D+01  0.151100D+01 -0.177852D+01 -0.382226D+00 -0.150835D+01
      2   0.316356D+01 -0.177852D+01  0.225185D+01  0.448781D+00  0.202515D+01
      3   0.146111D+01 -0.382226D+00  0.448781D+00  0.271976D+00  0.435903D+00
               131           132           133           134           135 
      1   0.202515D+01  0.435903D+00 -0.393097D+00  0.486688D+00 -0.101330D-02
      2  -0.854079D+01 -0.150055D+01  0.486688D+00 -0.158706D+01 -0.351624D+00
      3  -0.150055D+01 -0.109713D+01 -0.101330D-02 -0.351624D+00 -0.180384D+00
               136           137           138           139           140 
      1  -0.486330D+01 -0.378777D+01 -0.631575D+00 -0.369333D+01 -0.437893D+01
      2  -0.378777D+01 -0.349744D+01 -0.483924D+00 -0.437893D+01 -0.645954D+01
      3  -0.631575D+00 -0.483924D+00 -0.601915D+00 -0.775125D+00 -0.100772D+01
               141           142           143           144           145 
      1  -0.775125D+00 -0.588829D+00 -0.717267D+00 -0.114284D+00 -0.128119D+02
      2  -0.100772D+01 -0.717267D+00 -0.118855D+01 -0.135569D+00  0.131579D+01
      3  -0.861998D+00 -0.114284D+00 -0.135569D+00 -0.140379D+00  0.588870D+00
               146           147           148           149           150 
      1   0.131579D+01  0.588870D+00  0.137056D+01 -0.164314D+01 -0.380511D+00
      2  -0.871700D+00 -0.396610D-01 -0.164314D+01  0.471498D+00  0.101573D+00
      3  -0.396610D-01 -0.858354D+00 -0.380511D+00  0.101573D+00  0.141123D+00
               151           152           153           154           155 
      1   0.545087D+00 -0.390537D+00  0.624474D-01 -0.217474D+01  0.252290D+01
      2  -0.390537D+00  0.101646D+00  0.165709D-01  0.252290D+01 -0.275761D+01
      3   0.624474D-01  0.165709D-01  0.805765D-01  0.548219D+00 -0.532995D+00
               156           157           158           159           160 
      1   0.548219D+00  0.222437D+01 -0.366219D+01 -0.758506D+00  0.490583D+00
      2  -0.532995D+00 -0.366219D+01  0.914222D+01  0.172283D+01 -0.762430D+00
      3  -0.436445D+00 -0.758506D+00  0.172283D+01  0.113511D+01 -0.140620D+00
               161           162           163           164           165 
      1  -0.762430D+00 -0.140620D+00  0.334125D+01  0.237081D+01  0.173681D+00
      2   0.181741D+01  0.288078D+00  0.237081D+01  0.235652D+01  0.237577D+00
      3   0.288078D+00  0.181378D+00  0.173681D+00  0.237577D+00  0.243785D+00
               166           167           168           169           170 
      1   0.271299D+01  0.285369D+01  0.390908D+00  0.737178D-01  0.373582D+00
      2   0.285369D+01  0.560492D+01  0.772322D+00  0.373582D+00  0.920981D+00
      3   0.390908D+00  0.772322D+00  0.798717D+00 -0.162153D+00  0.135875D+00
               171 
      1  -0.162153D+00
      2   0.135875D+00
      3   0.586516D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.503451D+00  0.397214D+01  0.149630D+01  0.731719D+00 -0.571502D+01
      2   0.146837D+01  0.630824D+00  0.126363D+02  0.282904D+01 -0.241370D+01
      3  -0.894352D+00 -0.841825D+01 -0.158039D+01 -0.392868D+01  0.645486D+01
                 6             7             8             9            10 
      1  -0.768436D+01  0.266927D+01  0.333095D+00 -0.112260D-01  0.341220D-02
      2  -0.779766D+01  0.600849D+01 -0.791679D+01  0.516254D+01 -0.375281D+00
      3   0.187165D+01 -0.344743D+01  0.255355D+01  0.551944D+01  0.450610D+01
                11            12            13            14            15 
      1   0.556121D+00  0.433161D-01  0.109067D+01  0.123476D+01 -0.333294D+01
      2   0.124898D+01 -0.424956D+01  0.136008D+01  0.577986D+01  0.105448D+01
      3   0.350778D+01 -0.647029D+00  0.126396D+02 -0.700653D+01 -0.806249D+01
                16            17            18            19            20 
      1  -0.198460D+01  0.541078D+00 -0.146217D+01  0.208742D+01 -0.201879D+01
      2  -0.149862D+02  0.489022D+01 -0.523510D+01  0.402849D+01 -0.198842D+01
      3   0.365559D-02 -0.974018D+01 -0.138605D+01 -0.247676D+01  0.218698D+01
                21            22            23            24            25 
      1  -0.894959D+00 -0.143510D+01  0.592769D+01  0.360105D+01 -0.426570D+00
      2  -0.302297D+01 -0.309736D+01  0.497927D+01  0.733200D+01 -0.173225D+01
      3   0.100944D+01  0.343082D+01 -0.489881D+01 -0.463486D+01  0.241149D+00
                26            27            28            29            30 
      1   0.454160D+01  0.449840D+01  0.426896D-01 -0.580335D+00  0.713534D+00
      2   0.357427D+01  0.888956D+01 -0.158397D+01  0.268533D+00  0.206775D+01
      3  -0.337486D+01 -0.391717D+01  0.320968D+01 -0.305828D+01 -0.157451D+00
                31            32            33            34            35 
      1  -0.820544D-01  0.135047D+01 -0.274584D+01  0.765744D+00  0.121897D+01
      2  -0.499446D+00 -0.329867D+01 -0.377758D+01  0.154525D+00 -0.291661D+01
      3   0.140864D+01  0.118586D+02  0.376325D+01  0.814681D+00  0.494229D+01
                36            37            38            39            40 
      1  -0.772829D+00 -0.275133D+01 -0.177578D+01 -0.131788D+01  0.215511D-01
      2  -0.220571D+01 -0.723431D+01 -0.818743D+00  0.111228D+02 -0.311731D+00
      3   0.278430D+01 -0.148916D+02 -0.653751D+01  0.402882D+01 -0.674158D+00
                41            42            43            44            45 
      1   0.579785D+01  0.191552D+01  0.781857D+00  0.631560D+01 -0.487483D+01
      2  -0.675129D+01 -0.244895D+01  0.304151D+01 -0.372196D+01  0.170031D+02
      3   0.121919D+02  0.860559D+01  0.360036D+01  0.877848D+01  0.341350D+01
                46            47            48            49            50 
      1   0.595548D+00  0.215525D+00  0.413462D+00  0.840352D+00 -0.222976D+01
      2   0.226226D+01 -0.143841D+01 -0.651971D+00 -0.953261D+00 -0.863338D+00
      3  -0.156462D+01  0.498188D+01  0.947503D+00  0.160915D+02 -0.150144D+01
                51            52            53            54            55 
      1   0.160263D+01  0.975930D+00  0.105051D+02  0.205321D+01 -0.682397D+00
      2   0.151218D+00 -0.156988D+02 -0.315145D+00 -0.862652D+00  0.102849D+01
      3   0.226445D+01  0.103565D+00  0.756759D+00 -0.743710D+00 -0.143029D+01
                56            57            58            59            60 
      1  -0.542774D-01  0.147065D+00 -0.102563D+00 -0.773833D+01 -0.532350D+01
      2   0.819580D+00 -0.213832D+00  0.590544D+00  0.374063D+01  0.455195D+01
      3   0.724271D+00 -0.323419D+00  0.285296D+01 -0.177622D+02 -0.414876D+01
                61            62            63            64            65 
      1  -0.314962D+00 -0.191811D+01 -0.226791D+01  0.779384D+00  0.120585D+01
      2  -0.985494D+00  0.309708D+01  0.156467D+01 -0.364520D+01  0.542985D+00
      3   0.694763D+00 -0.644227D+01 -0.372502D+01  0.416684D-01  0.866658D+00
                66            67            68            69            70 
      1   0.125604D+01  0.475511D+00 -0.448893D+00 -0.660953D+00  0.670655D+00
      2  -0.540319D+01 -0.509675D-01 -0.198195D+01  0.177081D+01 -0.497452D+01
      3  -0.143036D+01  0.146711D+01 -0.182711D+01  0.194954D+01 -0.139092D+01
                71            72            73            74            75 
      1   0.294689D+01  0.508162D+01  0.145009D+01 -0.170294D+01 -0.640870D+00
      2   0.291634D+01 -0.220280D+02  0.776723D+01 -0.608492D+00  0.522009D+01
      3   0.281223D+01 -0.395830D+01  0.931401D+01 -0.713352D+01 -0.789356D+00
                76            77            78            79            80 
      1  -0.114799D+01  0.149413D+00 -0.779983D+00 -0.614052D+00  0.230152D+00
      2  -0.712146D+00  0.143791D+01 -0.130895D+01  0.121084D+01  0.126466D+00
      3  -0.311043D+01  0.113160D+01 -0.744256D+00 -0.764574D+00 -0.790757D+00
                81            82            83            84            85 
      1   0.177092D+00 -0.817854D+00 -0.986150D+00  0.209985D+01 -0.119335D+01
      2  -0.134188D+01 -0.286267D+01  0.152948D+01 -0.145610D+01  0.122502D+01
      3   0.310966D+00  0.517525D+01 -0.403976D+01 -0.157625D+01  0.414555D+01
                86            87            88            89            90 
      1   0.428151D+00 -0.305206D+01  0.425496D+01  0.640084D+00 -0.660922D+00
      2   0.105627D+01  0.160045D+01 -0.127962D+02  0.169558D+01  0.208197D+01
      3  -0.608176D+01 -0.769983D+00 -0.156981D+01 -0.126693D-01 -0.507245D+01
                91            92            93            94            95 
      1   0.505494D-02  0.484656D+00 -0.277285D+01  0.116320D+01  0.158710D-01
      2   0.107958D+01  0.135063D+01  0.254758D+01 -0.106235D+01 -0.288888D+01
      3  -0.345342D+01 -0.102942D+02 -0.169167D+01  0.615297D+01 -0.147058D+01
                96            97            98            99           100 
      1  -0.229771D+01 -0.671938D+01  0.385604D+01  0.793512D+00  0.137647D+00
      2   0.634290D+01 -0.336687D+01  0.980199D+01  0.431219D+01 -0.898393D+00
      3   0.214128D+01  0.765099D+00  0.282004D+01 -0.420904D+01  0.255297D+01
               101           102           103           104           105 
      1   0.148783D+00  0.119431D+01  0.123963D-01 -0.317833D+01  0.269632D+01
      2  -0.519239D+00  0.859053D+01 -0.431933D+01 -0.165421D+00 -0.145034D+01
      3  -0.706092D+01  0.353695D+00  0.120762D+02  0.184562D+01 -0.539431D+00
               106           107           108           109           110 
      1   0.226548D+01  0.110324D+02  0.276978D+01  0.568863D+00 -0.219665D+00
      2   0.774019D+01 -0.218428D+01 -0.175854D+01  0.177756D+01  0.284984D+01
      3   0.382357D+01 -0.536181D+00  0.770259D+00 -0.319837D+01 -0.135184D+02
               111           112           113           114           115 
      1   0.220378D+01 -0.101678D+01  0.539153D+00 -0.386345D+01  0.496762D+01
      2   0.521889D+00  0.131454D+01  0.297407D+01 -0.575290D+01 -0.806270D+01
      3  -0.259525D+01  0.371429D+01  0.131448D+01 -0.205883D+01 -0.295818D+00
               116           117           118           119           120 
      1   0.748722D+00 -0.116234D+01 -0.145805D+01  0.339858D-01 -0.354186D+01
      2  -0.926602D+01 -0.402311D+01 -0.171622D+01  0.223143D+00 -0.190193D+01
      3  -0.238151D+01  0.479474D+01 -0.789342D+00  0.720113D+00  0.961583D+00
               121           122           123           124           125 
      1   0.818272D+00 -0.494251D+00 -0.203263D+01 -0.685348D+01  0.295473D+01
      2   0.333318D+01 -0.870694D+00 -0.748955D+00 -0.122076D+02 -0.295565D+00
      3   0.177507D+01  0.568758D+01 -0.306222D+00 -0.157521D+01  0.224312D+00
               126           127           128           129           130 
      1  -0.184399D+00  0.235874D-01 -0.234383D+00  0.142014D+01  0.100021D-01
      2  -0.612786D+00  0.124664D+01 -0.913292D+00  0.262270D+00 -0.119092D+01
      3   0.563884D+01 -0.582019D+01  0.365748D+01  0.981106D+00  0.685623D+01
               131           132           133           134           135 
      1   0.735261D+00 -0.410133D+01 -0.438738D+00  0.221107D+01 -0.291848D+00
      2   0.184027D+01 -0.291466D+00 -0.173470D+01  0.418586D+00 -0.153749D+00
      3  -0.851155D+01 -0.191575D+01  0.126992D+01 -0.152417D+01 -0.209350D+00
               136           137           138           139           140 
      1   0.178937D+00  0.535460D+00 -0.219885D+01 -0.103549D+00  0.414884D+00
      2  -0.576459D-01  0.107060D+00  0.283352D+01  0.705615D+00  0.136863D+01
      3  -0.140830D+01 -0.483932D+01 -0.283131D+00 -0.332709D+01 -0.107903D+02
               141           142           143           144           145 
      1  -0.323197D+01  0.884297D+00  0.168548D+01 -0.348671D+00 -0.105990D+00
      2   0.332895D+01 -0.103516D+01 -0.550225D+00  0.371216D+00 -0.855172D+00
      3  -0.134394D+01 -0.731061D+00 -0.207771D+01 -0.115722D+00  0.513610D+00
               146           147           148           149           150 
      1  -0.206262D+00  0.641736D+00  0.606771D-01 -0.846170D-02 -0.478717D+00
      2  -0.388172D-01  0.602714D+01  0.141644D+01 -0.292830D+00 -0.868565D+00
      3  -0.536570D+01  0.123135D+00 -0.364987D+01  0.148557D+01  0.245164D+00
               151           152           153           154           155 
      1  -0.411825D+00  0.533529D+00 -0.466834D-02 -0.169095D+00 -0.129858D+00
      2  -0.291765D+01  0.189517D+00 -0.286916D+00 -0.287346D+00  0.419226D+00
      3  -0.148554D+01  0.520003D+00 -0.481900D-01  0.678596D+00 -0.255426D+01
               156           157           158           159           160 
      1   0.159675D+01  0.258837D+00  0.281707D+00 -0.436573D+01 -0.610774D+00
      2   0.152471D+01  0.465688D+00 -0.243873D+01 -0.303553D+01 -0.645159D+00
      3  -0.278038D+00 -0.108240D+01  0.132906D+02  0.222532D+01 -0.266819D+00
               161           162           163           164           165 
      1   0.202186D+01 -0.497589D+00  0.615523D+00  0.755915D+00 -0.185902D+01
      2   0.178139D+00 -0.477193D+00 -0.188960D+01 -0.905905D+00  0.857823D+00
      3   0.271962D+01  0.398116D+00  0.944451D+01  0.383723D+01  0.191285D+00
               166           167           168           169           170 
      1   0.345402D+00  0.178859D+00 -0.317727D+01  0.629395D+00  0.193954D+01
      2  -0.104265D+01 -0.121142D+01  0.134813D+01 -0.176416D+01 -0.212422D+00
      3   0.791371D+01  0.508030D+01  0.711191D+00  0.210418D+00  0.753020D+00
               171 
      1  -0.784178D-01
      2   0.347469D+00
      3  -0.245168D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.208448D+02 -0.303210D+01  0.193288D+01 -0.368438D+01  0.467382D+01
      2  -0.143996D+02 -0.260547D+00 -0.724314D+01  0.102603D+01  0.422749D+01
      3  -0.644527D+01  0.329265D+01  0.531026D+01  0.265835D+01 -0.890131D+01
      4  -0.539678D+01  0.141789D+02 -0.273413D+01  0.161239D+02 -0.153047D+02
      5   0.157160D+02 -0.331140D+01  0.225027D+02 -0.805706D+01  0.272605D+01
      6  -0.459888D+01  0.532160D+01 -0.127940D+01  0.480196D+01 -0.103290D+02
                 6             7             8             9            10 
      1   0.790095D+01  0.363636D+01  0.526730D+01  0.621819D+00  0.583420D+01
      2   0.421309D+01 -0.128666D+02  0.350486D+01 -0.118829D+02 -0.229732D+01
      3  -0.121140D+02  0.923023D+01 -0.877216D+01  0.112611D+02 -0.353688D+01
      4   0.719303D+00 -0.587535D+01 -0.232798D+01 -0.145505D+02 -0.330395D+01
      5  -0.132315D+02  0.301355D+02 -0.124090D+02  0.217313D+02 -0.506722D+01
      6   0.306270D+01 -0.458964D+01  0.686507D+01 -0.130836D+02  0.416281D+01
                11            12            13            14            15 
      1  -0.323308D+01  0.111111D+01 -0.108725D+02  0.199456D+00  0.594799D+01
      2   0.139613D+01  0.127426D+01  0.819948D+01 -0.571830D+01 -0.104523D+02
      3   0.183695D+01 -0.238538D+01  0.267299D+01  0.551885D+01  0.450431D+01
      4  -0.137591D+02  0.670570D+01 -0.143580D+02  0.170038D+02  0.156115D+02
      5   0.693050D+01 -0.181990D+02  0.138593D+02  0.150690D+02 -0.454503D+00
      6   0.218460D+01  0.229534D+00  0.614811D+01 -0.504979D+01 -0.561309D+01
                16            17            18            19            20 
      1  -0.142030D+01  0.538651D+01 -0.635384D+01 -0.115570D+01  0.216280D+01
      2   0.894490D+01 -0.549706D+01  0.769203D+01  0.146112D+00  0.255951D+00
      3  -0.752459D+01  0.110547D+00 -0.133819D+01  0.100959D+01 -0.241875D+01
      4   0.132452D+02  0.162992D+02  0.657958D+01  0.165306D+01 -0.319412D+01
      5  -0.350745D+02  0.568670D+01 -0.969180D+01  0.707597D+00 -0.438482D+00
      6   0.350569D+01 -0.109299D+02  0.562979D+01  0.152529D+01 -0.199756D+01
                21            22            23            24            25 
      1   0.558364D+01  0.473991D+01 -0.622314D+01 -0.621246D+01  0.453805D+01
      2   0.676062D+00 -0.277469D+01 -0.426158D+00 -0.381181D+01 -0.246547D+01
      3  -0.625970D+01 -0.196522D+01  0.664930D+01  0.100243D+02 -0.207258D+01
      4  -0.168407D+01 -0.234228D+00  0.903547D+01  0.740156D+01 -0.128534D+01
      5  -0.285957D+01  0.346612D+01  0.561728D+01  0.106446D+02  0.480018D+01
      6  -0.114825D+01 -0.564556D+00  0.709186D+01  0.776015D+01 -0.820024D+00
                26            27            28            29            30 
      1  -0.382473D+01 -0.896342D+01  0.279294D+01 -0.316583D+01 -0.168878D+01
      2  -0.274385D+01 -0.629457D+01  0.137643D+01  0.342089D+00  0.457314D+00
      3   0.656858D+01  0.152580D+02 -0.416937D+01  0.282374D+01  0.123146D+01
      4   0.663880D+01  0.551186D+01 -0.742431D+01  0.108532D+02  0.207335D+01
      5   0.417765D+01  0.127654D+02 -0.350544D+01  0.197098D+01  0.579856D+01
      6   0.611424D+01  0.457530D+01  0.269346D+01 -0.186044D+01 -0.722164D+00
                31            32            33            34            35 
      1  -0.240068D+01 -0.958644D+01 -0.309844D+01 -0.147362D+01 -0.401409D+01
      2  -0.191708D+01  0.187195D+02  0.497909D+01  0.224155D-01  0.350913D+01
      3   0.431776D+01 -0.913305D+01 -0.188065D+01  0.145120D+01  0.504956D+00
      4   0.128020D+02 -0.267687D+02 -0.826098D+01  0.296319D+01 -0.100861D+02
      5   0.285708D+01 -0.741012D+01 -0.741113D+01  0.703039D+01 -0.628599D+01
      6  -0.306268D+01  0.104344D+02  0.769220D+01 -0.251331D+01  0.903229D+01
                36            37            38            39            40 
      1  -0.335008D+01 -0.533602D+02  0.754826D+01  0.103525D+02  0.180695D+02
      2   0.102339D+01  0.315157D+02 -0.271302D+01  0.116066D+01 -0.110518D+02
      3   0.232669D+01  0.218445D+02 -0.483524D+01 -0.115131D+02 -0.701768D+01
      4  -0.713973D+01  0.944140D+01  0.112667D+02 -0.520528D+01  0.110750D+02
      5  -0.567693D+01  0.112755D+02 -0.775492D+01  0.154913D+02 -0.135961D+02
      6   0.616952D+01 -0.557279D+01 -0.421647D+01  0.603977D+01 -0.545848D+01
                41            42            43            44            45 
      1   0.799204D+01 -0.446843D+01  0.385944D+00 -0.277999D+01  0.251255D+02
      2  -0.154424D+02 -0.303631D+01  0.194666D+01 -0.637757D+01  0.570777D+00
      3   0.745034D+01  0.750475D+01 -0.233261D+01  0.915755D+01 -0.256963D+02
      4  -0.155099D+02 -0.172444D+02 -0.916399D+01 -0.168270D+02  0.172672D+01
      5  -0.182386D+02  0.127088D+01  0.152351D+02 -0.103365D+01  0.138796D+02
      6  -0.262714D+01  0.524867D+01  0.442347D+01  0.391456D+01  0.362626D+01
                46            47            48            49            50 
      1  -0.183622D+02  0.437024D+01  0.196657D+01  0.715543D+00 -0.727112D+01
      2   0.452135D+01 -0.323827D+01 -0.121524D+01  0.374083D+01  0.141368D+02
      3   0.138409D+02 -0.113197D+01 -0.751325D+00 -0.445637D+01 -0.686568D+01
      4  -0.129180D+01  0.466393D+01 -0.569716D+00 -0.996249D+01  0.148571D+01
      5   0.796168D+01 -0.766738D+00  0.369248D+01 -0.641403D+01 -0.142820D+01
      6  -0.325680D+01  0.113416D+00 -0.267826D+01  0.177388D+01  0.413148D+01
                51            52            53            54            55 
      1  -0.528903D+00  0.117352D+01 -0.123883D+01 -0.755348D+01  0.669254D+01
      2   0.660090D+01  0.247330D+01  0.294335D+01 -0.328399D+01 -0.196394D+01
      3  -0.607200D+01 -0.364682D+01 -0.170453D+01  0.108375D+02 -0.472860D+01
      4  -0.179037D+01 -0.446921D+01 -0.123110D+01 -0.292108D+00  0.284499D+01
      5  -0.309505D-03  0.656445D+01 -0.334486D+00  0.189419D+00 -0.594724D+00
      6  -0.246958D+01 -0.108079D+01  0.578403D+01 -0.280322D+01  0.524474D+00
                56            57            58            59            60 
      1   0.279822D+01 -0.834990D+00  0.593005D+01 -0.975934D+01 -0.727755D+00
      2  -0.110244D+01  0.137953D+00 -0.985445D+00  0.256554D+02  0.592768D+01
      3  -0.169578D+01  0.697037D+00 -0.494461D+01 -0.158960D+02 -0.519993D+01
      4   0.215866D+01  0.167686D+01  0.950787D+01  0.317307D+02  0.573652D+01
      5   0.103083D+01 -0.629218D+00 -0.131735D+01  0.647267D+01  0.867849D+01
      6   0.506363D+00 -0.925182D+00 -0.710972D+00 -0.360147D+01  0.424988D+01
                61            62            63            64            65 
      1   0.363205D+01 -0.388639D+00 -0.429724D+01 -0.288210D+00  0.823918D+00
      2  -0.119465D+01  0.591479D+01  0.285702D+01 -0.300999D+01 -0.474623D+00
      3  -0.243740D+01 -0.552615D+01  0.144022D+01  0.329820D+01 -0.349295D+00
      4   0.506803D+01  0.116153D+02  0.528788D+01 -0.141333D+01 -0.150255D+01
      5   0.407840D+00  0.577004D+01  0.381026D+01 -0.127040D+01  0.103663D+01
      6   0.120902D+00  0.336423D+01  0.256219D+01 -0.719191D+00  0.238851D+01
                66            67            68            69            70 
      1  -0.104249D+02 -0.122099D+01 -0.492690D+01  0.289441D+01 -0.895475D+01
      2  -0.825007D+00  0.904367D+00  0.216590D+01 -0.103110D+01  0.446085D+01
      3   0.112499D+02  0.316627D+00  0.276100D+01 -0.186330D+01  0.449390D+01
      4  -0.428992D+00  0.113049D+01  0.299622D+01 -0.294029D+01 -0.328095D+01
      5  -0.274587D+01  0.853491D+00 -0.228053D+01  0.235494D+01  0.756258D+01
      6  -0.278129D+01  0.512847D+00 -0.212780D+01  0.749264D+01 -0.536580D-01
                71            72            73            74            75 
      1   0.384929D+01 -0.268621D+02  0.865818D+02 -0.477963D+01 -0.713775D+01
      2  -0.227440D+00 -0.141991D+02 -0.479337D+02  0.373749D+01  0.657564D+01
      3  -0.362185D+01  0.410612D+02 -0.386481D+02  0.104214D+01  0.562112D+00
      4  -0.522081D+01  0.290307D+01  0.374472D+01  0.106739D+02 -0.476692D+00
      5   0.506143D+01 -0.339637D+02 -0.251204D+02  0.991816D+00  0.134383D+02
      6   0.762037D+01 -0.124354D+02  0.103400D+01 -0.288435D+01  0.992771D+00
                76            77            78            79            80 
      1  -0.152132D+02  0.644291D+01  0.141308D+01  0.279832D+00  0.310260D+00
      2   0.900293D+01 -0.144417D+01 -0.119398D+01  0.179349D+01  0.439341D+00
      3   0.621029D+01 -0.499874D+01 -0.219107D+00 -0.207332D+01 -0.749601D+00
      4   0.925382D+01 -0.232267D+01  0.596150D+00  0.661446D+00  0.129822D+01
      5   0.556888D+01 -0.604227D+00 -0.351642D+01  0.108993D+02 -0.467985D+00
      6  -0.241543D+01  0.124432D+01  0.823147D+00  0.376247D+00  0.982736D+00
                81            82            83            84            85 
      1   0.421120D+01  0.126496D+02  0.112613D+02  0.178152D+01 -0.181913D+00
      2  -0.488946D+01 -0.874334D+01 -0.824530D+01  0.132830D+01  0.848617D+01
      3   0.678266D+00 -0.390623D+01 -0.301601D+01 -0.310982D+01 -0.830426D+01
      4  -0.173440D+00  0.554378D+01 -0.190430D+02 -0.331750D+01  0.101819D+02
      5  -0.490306D+01 -0.241810D+01 -0.284229D+01 -0.551091D+01  0.550228D+00
      6  -0.637131D+00 -0.107044D+01  0.104588D+00 -0.478867D+01  0.462393D+01
                86            87            88            89            90 
      1   0.729548D+01  0.378211D+01 -0.166456D+01  0.350852D+01 -0.156777D+02
      2  -0.128023D+02 -0.611436D+01  0.362939D+01 -0.939071D+01  0.145358D+01
      3   0.550685D+01  0.233224D+01 -0.196484D+01  0.588219D+01  0.142242D+02
      4   0.145354D+02  0.194692D+01 -0.311494D+00  0.196023D+01  0.659435D+01
      5   0.205154D+01  0.115054D+01  0.409203D+01  0.581888D+01  0.315134D+01
      6  -0.812983D+01  0.576360D+01 -0.198695D+01  0.147984D+02  0.401111D+01
                91            92            93            94            95 
      1  -0.216029D+01 -0.244628D+02 -0.584945D+01  0.287099D+02  0.499390D+01
      2  -0.823658D+00  0.158668D+02  0.436522D-02 -0.271528D+02 -0.801138D+01
      3   0.298395D+01  0.859599D+01  0.584508D+01 -0.155711D+01  0.301748D+01
      4  -0.144747D+02  0.459783D+01  0.139728D+01  0.175275D+01 -0.936329D+01
      5  -0.657902D-01  0.297085D+00  0.548285D+01 -0.486742D+01 -0.750377D+01
      6   0.529993D-01  0.173151D+01  0.719818D+01 -0.697870D+01 -0.667365D+01
                96            97            98            99           100 
      1   0.109407D+01  0.647240D+01  0.221251D+01  0.200667D+01 -0.929056D+01
      2  -0.159394D+01 -0.913617D+01 -0.641098D+01 -0.917812D+01  0.542423D+01
      3   0.499873D+00  0.266377D+01  0.419847D+01  0.717146D+01  0.386632D+01
      4  -0.853934D+01 -0.272703D+01 -0.783028D+01  0.146111D+02  0.181528D+01
      5   0.131968D+02  0.202483D+02  0.148350D+02  0.939819D+01  0.212496D+01
      6   0.457252D+01  0.676212D+01  0.124664D+02  0.192954D+00  0.577551D+00
               101           102           103           104           105 
      1   0.463776D+01  0.292924D+01 -0.939211D+01 -0.213296D+02 -0.749124D+01
      2  -0.333465D+01 -0.796314D+00  0.863839D+01  0.188769D+02  0.964359D+01
      3  -0.130311D+01 -0.213293D+01  0.753716D+00  0.245272D+01 -0.215236D+01
      4   0.234264D+02  0.476603D+00 -0.214071D+02  0.362615D+01  0.351837D+01
      5   0.213358D+00  0.198482D+02 -0.111434D+02  0.102283D+01 -0.257100D+01
      6   0.198950D+00 -0.260784D+01  0.307330D+01  0.466898D+01 -0.475984D+01
               106           107           108           109           110 
      1   0.688174D+00 -0.733241D+01  0.142711D+02  0.907149D+01  0.224761D+02
      2   0.157948D+01  0.550587D+01 -0.171975D+02 -0.846109D+01 -0.148315D+02
      3  -0.226765D+01  0.182654D+01  0.292641D+01 -0.610404D+00 -0.764457D+01
      4  -0.120048D+02  0.174650D+01 -0.316691D+01  0.161487D+02 -0.531046D+01
      5   0.362295D+02 -0.316691D+01 -0.319597D+01  0.423891D+01 -0.702426D+00
      6  -0.216435D+01  0.649309D+01 -0.418922D+01 -0.388617D+01 -0.294511D+00
               111           112           113           114           115 
      1   0.366721D+01 -0.219328D+02  0.109457D+02  0.322279D+01 -0.418599D+01
      2  -0.461091D+00  0.198027D+02 -0.151567D+02 -0.630846D+01  0.643494D+01
      3  -0.320611D+01  0.213016D+01  0.421095D+01  0.308567D+01 -0.224895D+01
      4  -0.223105D+01  0.128613D+02  0.201167D+01  0.576328D+01 -0.106584D+01
      5  -0.184896D+01 -0.843405D-01  0.632064D+01 -0.122612D+02  0.136522D+02
      6  -0.507062D+01  0.454812D+01 -0.981409D+01  0.737831D+01 -0.587296D+01
               116           117           118           119           120 
      1   0.153367D+01 -0.609047D+01 -0.200612D+01 -0.191277D+02 -0.397546D+01
      2  -0.830901D+01 -0.450952D+01  0.502596D+00  0.141252D+02 -0.554569D+00
      3   0.677534D+01  0.106000D+02  0.150353D+01  0.500253D+01  0.453003D+01
      4   0.768434D+01 -0.147777D+02 -0.113461D+02 -0.122669D+02 -0.614190D+00
      5  -0.149132D+02 -0.835287D+01 -0.299340D+01 -0.135524D+01 -0.334274D+01
      6   0.157122D+02  0.344806D+01  0.215062D+01  0.520411D+00  0.788845D+01
               121           122           123           124           125 
      1   0.449846D+01  0.220461D+01  0.296838D+01  0.305814D+00  0.389284D+01
      2  -0.140370D+02 -0.538096D+01 -0.323388D+01 -0.588680D+01 -0.626542D+01
      3   0.953849D+01  0.317635D+01  0.265494D+00  0.558099D+01  0.237258D+01
      4   0.474374D+01 -0.133789D+02 -0.221535D+01  0.242596D+01 -0.138862D+01
      5   0.297039D+01 -0.211922D+01  0.158137D+01  0.182487D+01 -0.182542D+01
      6  -0.670716D+01 -0.493797D+01  0.439145D+01  0.527831D+01  0.112571D+02
               126           127           128           129           130 
      1  -0.149109D+02 -0.509945D+01  0.880866D+01  0.195854D+01  0.746494D+01
      2   0.167891D+01  0.663977D+01 -0.108711D+02 -0.159288D+01 -0.924220D+01
      3   0.132320D+02 -0.154032D+01  0.206247D+01 -0.365654D+00  0.177726D+01
      4  -0.293582D+01 -0.374240D+01  0.723709D+01  0.114148D+01  0.510864D+01
      5   0.339903D+00 -0.819724D+00  0.114751D+01  0.168367D+01  0.943230D+00
      6   0.663505D+00  0.202824D+01 -0.273176D+01 -0.213831D+01 -0.241230D+01
               131           132           133           134           135 
      1  -0.329112D+02 -0.632396D+01  0.149602D+01 -0.604743D+01 -0.218591D+01
      2   0.438561D+02  0.588082D+01 -0.194372D+01  0.756281D+01  0.278836D+01
      3  -0.109449D+02  0.443138D+00  0.447706D+00 -0.151538D+01 -0.602449D+00
      4   0.558689D+00  0.412533D+00  0.111288D+01  0.109536D+00 -0.119257D+01
      5   0.596383D+00 -0.116165D+00  0.545060D+00 -0.501143D+00 -0.463278D+00
      6   0.104513D+02  0.792117D+01 -0.609267D+00  0.339011D+01  0.219587D+01
               136           137           138           139           140 
      1   0.216910D+02  0.136123D+02  0.229680D+01  0.927949D+01  0.368408D+01
      2  -0.413348D+01  0.918376D+00 -0.796476D+00  0.580467D+01  0.159771D+02
      3  -0.175575D+02 -0.145307D+02 -0.150033D+01 -0.150842D+02 -0.196612D+02
      4   0.322521D+02  0.296701D+02  0.399731D+01  0.329759D+02  0.427621D+02
      5   0.609124D+01  0.455582D+01  0.608738D+01  0.629618D+01  0.736924D+01
      6   0.250880D+01  0.223847D+01  0.312328D+01  0.396010D+01  0.557997D+01
               141           142           143           144           145 
      1   0.692896D+00  0.128676D+01  0.157859D+00 -0.797254D-01  0.970996D+02
      2   0.683814D+00  0.101281D+01  0.250613D+01  0.101904D+01 -0.543003D+02
      3  -0.137671D+01 -0.229957D+01 -0.266399D+01 -0.939320D+00 -0.427993D+02
      4   0.644652D+01  0.548457D+01  0.685012D+01  0.235551D+01 -0.150038D+02
      5   0.572898D+01  0.197150D+01  0.198197D+01  0.122827D+01 -0.476789D+01
      6   0.591706D+01  0.146733D+01  0.211073D+01  0.167261D+01 -0.193114D+01
               146           147           148           149           150 
      1  -0.898793D+01 -0.386004D+01 -0.854951D+01  0.939221D+01  0.164781D+01
      2   0.432962D+01  0.253124D+01  0.371209D+01 -0.415011D+01 -0.140099D+01
      3   0.465831D+01  0.132881D+01  0.483743D+01 -0.524210D+01 -0.246827D+00
      4   0.990246D+01  0.433209D+00  0.156267D+02 -0.459724D+01 -0.985471D+00
      5   0.233314D+00  0.970097D+01  0.313892D+01 -0.893777D+00 -0.129185D+01
      6  -0.675217D-01 -0.700334D+00 -0.424459D+00 -0.111672D+00  0.165109D+01
               151           152           153           154           155 
      1  -0.432250D+01  0.171182D+01  0.229546D+01  0.506925D+01 -0.422920D+01
      2   0.227833D+01 -0.936202D+00 -0.130899D+01  0.350822D+01 -0.552886D+01
      3   0.204417D+01 -0.775618D+00 -0.986471D+00 -0.857746D+01  0.975806D+01
      4   0.334272D+01 -0.115761D+01 -0.508138D+00 -0.178536D+02  0.227149D+02
      5   0.124717D+01 -0.288390D+00 -0.842552D+00 -0.339247D+01  0.378371D+01
      6  -0.408973D-01  0.514663D+00  0.415552D+00  0.258849D+01 -0.296341D+01
               156           157           158           159           160 
      1  -0.877203D+00  0.857426D+00 -0.157827D+02 -0.301022D+01  0.117928D-01
      2  -0.361807D+00 -0.113174D+02  0.377464D+02  0.481937D+01 -0.180930D+01
      3   0.123901D+01  0.104600D+02 -0.219637D+02 -0.180915D+01  0.179750D+01
      4   0.417216D+01  0.237970D+02 -0.460022D+02 -0.845032D+01  0.478903D+01
      5   0.420626D+01  0.430233D+01 -0.767579D+01 -0.541781D+01  0.162207D+01
      6  -0.251640D+01 -0.432074D+01  0.105850D+02  0.828384D+01 -0.159294D+01
               161           162           163           164           165 
      1  -0.275384D+01 -0.143853D+01 -0.393239D+01 -0.616994D+01 -0.921240D+00
      2   0.653622D+01  0.249920D+01  0.609596D+01  0.897310D+01  0.695644D+00
      3  -0.378239D+01 -0.106067D+01 -0.216357D+01 -0.280316D+01  0.225596D+00
      4  -0.918986D+01 -0.266749D+01  0.879019D+01  0.839321D+01  0.703079D+00
      5  -0.188879D+01 -0.145935D+01  0.407304D+00  0.495355D+00  0.182668D+01
      6   0.341607D+01  0.247848D+01  0.118867D+01  0.170760D+01  0.188475D+01
               166           167           168           169           170 
      1  -0.747277D+01 -0.198079D+02 -0.338004D+01 -0.890107D+00 -0.312759D+01
      2   0.104721D+02  0.267191D+02  0.278267D+01  0.172103D+01  0.405877D+01
      3  -0.299933D+01 -0.691115D+01  0.597372D+00 -0.830919D+00 -0.931176D+00
      4   0.852492D+01  0.848519D+01  0.781587D+00  0.109097D+01  0.105718D+01
      5   0.673543D+00  0.908626D+00  0.166535D+01  0.510568D+00  0.766899D+00
      6   0.212086D+01  0.473056D+01  0.525722D+01  0.374272D+00  0.175471D+01
               171 
      1  -0.517126D+00
      2   0.141316D+01
      3  -0.896029D+00
      4   0.183436D+01
      5   0.563516D+00
      6   0.102277D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 22:55:03 2021, MaxMem=  5368709120 cpu:           19647.3 elap:            2457.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.27064 -10.35238 -10.30994 -10.30704 -10.30617
 Alpha  occ. eigenvalues --  -10.30597 -10.30531 -10.30401 -10.28862  -1.12610
 Alpha  occ. eigenvalues --   -0.96979  -0.88423  -0.85571  -0.82995  -0.73990
 Alpha  occ. eigenvalues --   -0.70849  -0.68253  -0.62516  -0.57691  -0.56495
 Alpha  occ. eigenvalues --   -0.54101  -0.52902  -0.51313  -0.51155  -0.48526
 Alpha  occ. eigenvalues --   -0.46861  -0.45282  -0.44838  -0.42767  -0.40794
 Alpha  occ. eigenvalues --   -0.36344  -0.33801  -0.33105
 Alpha virt. eigenvalues --    0.03401   0.04193   0.04327   0.04590   0.04877
 Alpha virt. eigenvalues --    0.05503   0.05812   0.06027   0.07013   0.07724
 Alpha virt. eigenvalues --    0.08322   0.10494   0.11428   0.12170   0.12306
 Alpha virt. eigenvalues --    0.13236   0.13332   0.13700   0.14294   0.14933
 Alpha virt. eigenvalues --    0.15028   0.15384   0.15497   0.15775   0.16240
 Alpha virt. eigenvalues --    0.16755   0.17463   0.17785   0.18445   0.18564
 Alpha virt. eigenvalues --    0.19314   0.20156   0.20326   0.20748   0.21328
 Alpha virt. eigenvalues --    0.22598   0.23043   0.24353   0.25115   0.26070
 Alpha virt. eigenvalues --    0.26652   0.27292   0.27852   0.28321   0.28921
 Alpha virt. eigenvalues --    0.29635   0.29696   0.30618   0.31048   0.31516
 Alpha virt. eigenvalues --    0.31853   0.32194   0.32705   0.33335   0.33957
 Alpha virt. eigenvalues --    0.34512   0.34891   0.35537   0.36235   0.37088
 Alpha virt. eigenvalues --    0.38169   0.39169   0.39468   0.40076   0.40203
 Alpha virt. eigenvalues --    0.41128   0.42362   0.43061   0.44106   0.44414
 Alpha virt. eigenvalues --    0.45381   0.45619   0.46192   0.47493   0.48203
 Alpha virt. eigenvalues --    0.49113   0.50556   0.50840   0.51651   0.52052
 Alpha virt. eigenvalues --    0.53467   0.54356   0.54818   0.55267   0.55659
 Alpha virt. eigenvalues --    0.56600   0.57438   0.58170   0.58435   0.60886
 Alpha virt. eigenvalues --    0.61239   0.61558   0.62158   0.62838   0.62930
 Alpha virt. eigenvalues --    0.63886   0.64408   0.64726   0.65869   0.66463
 Alpha virt. eigenvalues --    0.67822   0.68038   0.68443   0.69465   0.70225
 Alpha virt. eigenvalues --    0.70968   0.71336   0.72077   0.72637   0.72870
 Alpha virt. eigenvalues --    0.73275   0.73706   0.74127   0.75734   0.76940
 Alpha virt. eigenvalues --    0.77520   0.78589   0.79189   0.80871   0.82101
 Alpha virt. eigenvalues --    0.82837   0.83069   0.84618   0.85337   0.85417
 Alpha virt. eigenvalues --    0.86196   0.86639   0.87858   0.88390   0.88956
 Alpha virt. eigenvalues --    0.89446   0.91258   0.92182   0.93822   0.95233
 Alpha virt. eigenvalues --    0.96109   0.96986   0.98821   1.00446   1.03585
 Alpha virt. eigenvalues --    1.04289   1.05582   1.06758   1.07994   1.09099
 Alpha virt. eigenvalues --    1.11199   1.13051   1.14771   1.15430   1.17684
 Alpha virt. eigenvalues --    1.20280   1.22350   1.23182   1.25960   1.29483
 Alpha virt. eigenvalues --    1.31150   1.36391   1.37814   1.38634   1.41041
 Alpha virt. eigenvalues --    1.41148   1.42175   1.43687   1.44992   1.45571
 Alpha virt. eigenvalues --    1.46256   1.47884   1.49310   1.49945   1.50301
 Alpha virt. eigenvalues --    1.52643   1.53029   1.56274   1.57746   1.58145
 Alpha virt. eigenvalues --    1.59092   1.60175   1.61093   1.63201   1.64097
 Alpha virt. eigenvalues --    1.65791   1.66786   1.68264   1.70024   1.72160
 Alpha virt. eigenvalues --    1.73329   1.74451   1.76156   1.77211   1.78165
 Alpha virt. eigenvalues --    1.79170   1.80043   1.81245   1.83565   1.83734
 Alpha virt. eigenvalues --    1.84730   1.86328   1.89264   1.89947   1.92166
 Alpha virt. eigenvalues --    1.93393   1.94832   1.96090   1.96794   1.98038
 Alpha virt. eigenvalues --    1.98546   2.00979   2.02363   2.04720   2.06342
 Alpha virt. eigenvalues --    2.08605   2.09749   2.10648   2.11023   2.13070
 Alpha virt. eigenvalues --    2.14998   2.16579   2.17737   2.19157   2.20784
 Alpha virt. eigenvalues --    2.22359   2.24090   2.24416   2.26259   2.29090
 Alpha virt. eigenvalues --    2.30140   2.31472   2.37747   2.39378   2.40107
 Alpha virt. eigenvalues --    2.44614   2.45996   2.51068   2.55343   2.58281
 Alpha virt. eigenvalues --    2.59946   2.60613   2.62373   2.63574   2.64525
 Alpha virt. eigenvalues --    2.68180   2.72170   2.77832   2.79232   2.80663
 Alpha virt. eigenvalues --    2.83070   2.88622   2.90775   2.94482   2.97747
 Alpha virt. eigenvalues --    3.04641   3.11694   3.14166   3.17065   3.36702
 Alpha virt. eigenvalues --    3.46075   3.53189   3.56376   3.59418   3.62187
 Alpha virt. eigenvalues --    3.67061   3.75371   4.08113   4.59881
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  O    8.364541  -0.108045   0.336965  -0.019387  -0.030026  -0.092040
     2  C   -0.108045  10.123930  -0.146875  -1.227757   0.376513  -0.274611
     3  H    0.336965  -0.146875   0.644499   0.025416  -0.019693   0.016610
     4  H   -0.019387  -1.227757   0.025416   2.274600   0.048789   0.347562
     5  C   -0.030026   0.376513  -0.019693   0.048789   4.549587  -0.013452
     6  C   -0.092040  -0.274611   0.016610   0.347562  -0.013452  16.739235
     7  H    0.033449  -0.176042   0.011760   0.071712   0.357024   0.104452
     8  H    0.023199   0.089569   0.002837  -0.080234   0.272837  -0.289631
     9  H   -0.019934   0.098473  -0.005333  -0.029859   0.164342   0.180839
    10  C    0.077916  -2.918813   0.007103   0.248154  -0.083228  -7.995544
    11  C   -0.006621   0.054927   0.007979  -0.011139   0.035980   2.922856
    12  C    0.010640  -0.101058  -0.003415   0.021962  -0.040763  -4.295962
    13  C   -0.015052   0.027182   0.015651  -0.036619   0.089885   3.120158
    14  C    0.008403  -0.701139   0.020552   0.008117  -0.332014  -6.902217
    15  H   -0.002683   0.269452   0.005331  -0.114046  -0.004320   0.842556
    16  H    0.000144   0.008872   0.000433  -0.001260   0.003984  -0.282056
    17  H    0.000145  -0.009892   0.000080   0.001413  -0.000168   0.125696
    18  H   -0.001169   0.032589  -0.001729   0.000662  -0.001392  -0.323028
    19  H   -0.024380   0.152876  -0.004548   0.015196   0.054923   0.487176
               7          8          9         10         11         12
     1  O    0.033449   0.023199  -0.019934   0.077916  -0.006621   0.010640
     2  C   -0.176042   0.089569   0.098473  -2.918813   0.054927  -0.101058
     3  H    0.011760   0.002837  -0.005333   0.007103   0.007979  -0.003415
     4  H    0.071712  -0.080234  -0.029859   0.248154  -0.011139   0.021962
     5  C    0.357024   0.272837   0.164342  -0.083228   0.035980  -0.040763
     6  C    0.104452  -0.289631   0.180839  -7.995544   2.922856  -4.295962
     7  H    1.385315  -0.121286  -0.350037   0.055541   0.009275  -0.008898
     8  H   -0.121286   1.523398  -0.258947  -0.009339  -0.007009   0.001681
     9  H   -0.350037  -0.258947   1.431696  -0.056596  -0.000059  -0.001875
    10  C    0.055541  -0.009339  -0.056596  21.755278  -5.028586   4.348476
    11  C    0.009275  -0.007009  -0.000059  -5.028586  12.918033  -4.729911
    12  C   -0.008898   0.001681  -0.001875   4.348476  -4.729911  11.487981
    13  C   -0.030746   0.016753   0.017115  -5.080063   4.388866  -4.608635
    14  C   -0.071668   0.026365  -0.018566   1.708686  -4.480185   3.909094
    15  H    0.002354   0.010956  -0.005673  -2.078680   0.480370  -0.240569
    16  H   -0.000221  -0.001170   0.000749   0.818396  -1.357014   0.591520
    17  H    0.000260   0.000219  -0.000078  -0.190924   0.628434  -1.301558
    18  H   -0.000983  -0.000763   0.000634   0.205051  -0.367302   0.585240
    19  H   -0.090384  -0.034484   0.012850  -0.269487   0.179234  -0.236546
              13         14         15         16         17         18
     1  O   -0.015052   0.008403  -0.002683   0.000144   0.000145  -0.001169
     2  C    0.027182  -0.701139   0.269452   0.008872  -0.009892   0.032589
     3  H    0.015651   0.020552   0.005331   0.000433   0.000080  -0.001729
     4  H   -0.036619   0.008117  -0.114046  -0.001260   0.001413   0.000662
     5  C    0.089885  -0.332014  -0.004320   0.003984  -0.000168  -0.001392
     6  C    3.120158  -6.902217   0.842556  -0.282056   0.125696  -0.323028
     7  H   -0.030746  -0.071668   0.002354  -0.000221   0.000260  -0.000983
     8  H    0.016753   0.026365   0.010956  -0.001170   0.000219  -0.000763
     9  H    0.017115  -0.018566  -0.005673   0.000749  -0.000078   0.000634
    10  C   -5.080063   1.708686  -2.078680   0.818396  -0.190924   0.205051
    11  C    4.388866  -4.480185   0.480370  -1.357014   0.628434  -0.367302
    12  C   -4.608635   3.909094  -0.240569   0.591520  -1.301558   0.585240
    13  C   13.827502  -5.518713   0.135486  -0.300327   0.619880  -1.518733
    14  C   -5.518713  18.526673  -0.074295   0.165321  -0.195477   1.039367
    15  H    0.135486  -0.074295   2.845744  -0.169178  -0.022058   0.013924
    16  H   -0.300327   0.165321  -0.169178   2.255426  -0.109375  -0.027206
    17  H    0.619880  -0.195477  -0.022058  -0.109375   2.201095  -0.109739
    18  H   -1.518733   1.039367   0.013924  -0.027206  -0.109739   2.312751
    19  H    0.649843  -2.047133  -0.041676   0.016702  -0.024726  -0.182106
              19
     1  O   -0.024380
     2  C    0.152876
     3  H   -0.004548
     4  H    0.015196
     5  C    0.054923
     6  C    0.487176
     7  H   -0.090384
     8  H   -0.034484
     9  H    0.012850
    10  C   -0.269487
    11  C    0.179234
    12  C   -0.236546
    13  C    0.649843
    14  C   -2.047133
    15  H   -0.041676
    16  H    0.016702
    17  H   -0.024726
    18  H   -0.182106
    19  H    3.325076
 Mulliken charges:
               1
     1  O   -0.536064
     2  C    0.429850
     3  H    0.086379
     4  H   -0.543281
     5  C    0.571192
     6  C    1.581400
     7  H   -0.180877
     8  H   -0.164950
     9  H   -0.159741
    10  C    0.486658
    11  C    0.361873
    12  C    0.612597
    13  C    0.200567
    14  C    0.928828
    15  H   -0.852995
    16  H   -0.613741
    17  H   -0.613225
    18  H   -0.656066
    19  H   -0.938405
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  O   -0.449685
     2  C   -0.113431
     5  C    0.065624
     6  C    1.581400
    10  C   -0.366337
    11  C   -0.251867
    12  C   -0.000628
    13  C   -0.455499
    14  C   -0.009577
 Electronic spatial extent (au):  <R**2>=           1273.7770
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.0535    Y=              1.1047    Z=             -0.7046  Tot=              1.6813
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -53.9842   YY=            -50.6937   ZZ=            -56.8745
   XY=              2.7255   XZ=             -2.8747   YZ=              4.2202
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.1334   YY=              3.1571   ZZ=             -3.0237
   XY=              2.7255   XZ=             -2.8747   YZ=              4.2202
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -16.1261  YYY=             -2.0390  ZZZ=              7.6974  XYY=             -1.8385
  XXY=              4.5571  XXZ=             -6.4073  XZZ=              8.7953  YZZ=              3.1853
  YYZ=              0.1689  XYZ=              4.0438
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1154.4640 YYYY=           -331.7431 ZZZZ=           -172.8140 XXXY=              7.3331
 XXXZ=            -18.3113 YYYX=             -3.7434 YYYZ=             10.9381 ZZZX=             13.8718
 ZZZY=              2.6773 XXYY=           -246.4849 XXZZ=           -246.1709 YYZZ=            -97.2612
 XXYZ=             18.2644 YYXZ=              0.0636 ZZXY=              6.5610
 N-N= 4.248725613293D+02 E-N=-1.747265759691D+03  KE= 3.836938492441D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 22:55:04 2021, MaxMem=  5368709120 cpu:               2.7 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.14971907D-01 4.30441933D-01-2.36946877D-01
 Polarizability= 1.20315009D+02 6.58091285D-01 9.70346880D+01
                -1.68596022D+00 5.91441758D+00 6.67553385D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.7472    0.7462        0.4908    0.4918
 2     -0.7472   -0.7462       -2.7590   -2.7577      -12.4142  -12.4215
 3     -0.4908   -0.4918       27.4390   27.4404        2.7558    2.7577
 4      2.7590    2.7577        0.0000    0.0000       -0.4908   -0.4918
 5    -15.0249  -15.0190        0.4908    0.4918        0.7471    0.7462
 6     -2.7558   -2.7577       -0.7471   -0.7462       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -2.2385   -2.2385        1.4753    1.4753
 2      8.2731    8.2731       -0.0000    0.0000        1.4753    1.4753
 3      8.2731    8.2731       -2.2385   -2.2385        0.0000    0.0000
 4     -2.2385   -2.2385       -8.2731   -8.2731      -37.2644  -37.2644
 5     -1.4753   -1.4753       82.3213   82.3213        8.2731    8.2731
 6    -45.0569  -45.0569        1.4753    1.4753        2.2385    2.2385
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2704    0.0000       -2.9066   -2.9847       -2.4274   -1.9671
 2      3.0746    2.9847       11.0427   11.0308       49.9147   49.6859
 3      2.1184    1.9671     -109.8500 -109.7618      -10.4406  -11.0308
 4    -11.0847  -11.0308        0.0022    0.0000        2.1924    1.9671
 5     59.9523   60.0759       -1.9081   -1.9671       -3.0367   -2.9847
 6     11.1293   11.0308        3.0656    2.9847        0.0279    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.3332    0.0000       -0.6086   -0.8637       -4.3556   -3.5957
 2      0.9905    0.8637       47.1278   47.3791       21.8591   21.0427
 3      2.8238    3.5957       18.9503   18.6302      -49.0660  -47.3791
 4    -47.3102  -47.3791       -0.1115    0.0000        3.6047    3.5957
 5    -39.7402  -39.6729       -3.8666   -3.5957       -1.1795   -0.8637
 6     47.5867   47.3791        0.7555    0.8637        0.7133    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -27.0939  -27.3356       -5.8396   -5.8385       -2.0126   -2.5481
 2   -102.4515 -102.4863       -2.6286   -2.6925       -2.5219   -2.5481
 3   -102.3029 -102.4863       -5.9254   -5.8385        0.9101    0.5392
 4     -3.1980   -3.1460       74.9345   75.1507       28.9779   29.1808
 5      2.6611    3.0873       32.7599   32.7761      -75.8114  -75.1507
 6    -61.7229  -61.9569       -3.5894   -3.0873        3.7717    3.1460
 Full mass-weighted force constant matrix:
 Low frequencies ---   -0.0006    0.0006    0.0010    1.8448    3.3336    7.6452
 Low frequencies ---   16.5561  125.3398  198.2235
 Diagonal vibrational polarizability:
       68.2989721      24.6285691      65.0950305
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     16.5296               125.3396               198.2231
 Red. masses --      3.4791                 3.5210                 1.2501
 Frc consts  --      0.0006                 0.0326                 0.0289
 IR Inten    --      0.6745                 1.3222                90.6047
 RamAct Fr= 1--      3.4413                 4.1708                 0.6648
  Dep-P Fr= 1--      0.7492                 0.7500                 0.5185
  Dep-U Fr= 1--      0.8566                 0.8571                 0.6829
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0030
 Beta2  Fr= 1--      0.4913                 0.5958                 0.0757
 AlphaG Fr= 1--      0.0004                -0.0000                 0.0170
 Gamma2 Fr= 1--      0.0857                 0.0898                 0.5483
 Delta2 Fr= 1--      0.1078                 0.0414                 0.1169
 Raman1 Fr= 1--      13.765                 16.683                  2.659
 ROA1   Fr= 1--      11.679                  9.942                 56.373
 CID1   Fr= 1--       0.848                  0.596                 21.200
 Raman2 Fr= 1--       5.896                  7.150                  0.908
 ROA2   Fr= 1--       1.195                  1.823                 12.223
 CID2   Fr= 1--       0.203                  0.255                 13.462
 Raman3 Fr= 1--      11.791                 14.300                  1.816
 ROA3   Fr= 1--      11.679                  9.942                 56.373
 CID3   Fr= 1--       0.990                  0.695                 31.044
 RC180  Fr= 1--       0.713                  0.714                  0.366
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.04   0.21   0.07     0.21  -0.09  -0.06    -0.02  -0.05   0.00
     2   6    -0.00  -0.03   0.06    -0.00  -0.01   0.04    -0.01   0.01   0.01
     3   1     0.06   0.30  -0.05     0.47  -0.01  -0.01     0.80   0.48  -0.22
     4   1    -0.00  -0.11   0.23    -0.05   0.02  -0.04    -0.05  -0.01   0.03
     5   6    -0.05  -0.16  -0.15    -0.15   0.06  -0.02     0.06  -0.04   0.01
     6   6    -0.00  -0.04   0.05    -0.01  -0.02   0.18    -0.01   0.05  -0.01
     7   1    -0.10  -0.07  -0.34    -0.05   0.02   0.09     0.10  -0.03  -0.00
     8   1    -0.07  -0.37  -0.16    -0.37   0.17   0.06     0.07  -0.02   0.01
     9   1    -0.04  -0.11  -0.11    -0.15   0.06  -0.27     0.04  -0.10   0.02
    10   6    -0.02   0.01  -0.12    -0.01  -0.02   0.15     0.01   0.04  -0.02
    11   6    -0.02   0.03  -0.17    -0.02   0.02  -0.05     0.01  -0.01  -0.00
    12   6     0.00   0.01  -0.04    -0.03   0.05  -0.20    -0.02  -0.03   0.02
    13   6     0.02  -0.03   0.13    -0.02   0.02  -0.09    -0.05  -0.01   0.01
    14   6     0.02  -0.05   0.17    -0.02  -0.01   0.11    -0.04   0.04  -0.01
    15   1    -0.03   0.02  -0.22    -0.01  -0.03   0.21     0.04   0.05  -0.03
    16   1    -0.03   0.07  -0.29    -0.02   0.03  -0.11     0.03  -0.03  -0.00
    17   1     0.00   0.03  -0.07    -0.03   0.08  -0.39    -0.03  -0.06   0.05
    18   1     0.03  -0.04   0.23    -0.03   0.04  -0.18    -0.08  -0.02   0.02
    19   1     0.03  -0.08   0.30    -0.02  -0.02   0.16    -0.07   0.06  -0.01
                      4                      5                      6
                      A                      A                      A
 Frequencies --    237.2947               255.0164               326.7848
 Red. masses --      2.3018                 1.0887                 4.8379
 Frc consts  --      0.0764                 0.0417                 0.3044
 IR Inten    --     19.1597                 3.0426                10.0136
 RamAct Fr= 1--      0.7360                 0.1393                 2.8597
  Dep-P Fr= 1--      0.3783                 0.6815                 0.2223
  Dep-U Fr= 1--      0.5490                 0.8106                 0.3638
 Alpha2 Fr= 1--      0.0059                 0.0002                 0.0366
 Beta2  Fr= 1--      0.0673                 0.0188                 0.1734
 AlphaG Fr= 1--     -0.0085                -0.0006                -0.0167
 Gamma2 Fr= 1--      0.5706                -0.0217                 0.3325
 Delta2 Fr= 1--      0.3291                -0.0253                 0.1394
 Raman1 Fr= 1--       2.944                  0.557                 11.439
 ROA1   Fr= 1--      65.313                 -2.891                 36.378
 CID1   Fr= 1--      22.185                 -5.189                  3.180
 Raman2 Fr= 1--       0.808                  0.226                  2.080
 ROA2   Fr= 1--      11.063                 -0.317                  6.864
 CID2   Fr= 1--      13.690                 -1.405                  3.299
 Raman3 Fr= 1--       1.616                  0.452                  4.161
 ROA3   Fr= 1--      65.313                 -2.891                 36.378
 CID3   Fr= 1--      40.413                 -6.401                  8.743
 RC180  Fr= 1--       0.098                  0.621                 -0.272
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.05  -0.06  -0.04    -0.01   0.03   0.01     0.32   0.12  -0.05
     2   6    -0.01   0.03  -0.01    -0.01   0.00   0.01     0.05  -0.02   0.01
     3   1    -0.38  -0.41   0.18    -0.15  -0.06   0.04    -0.01  -0.11   0.07
     4   1    -0.16   0.02  -0.04    -0.04  -0.02   0.03     0.06  -0.02   0.03
     5   6     0.11  -0.11  -0.07     0.03  -0.04  -0.01     0.19  -0.01   0.14
     6   6    -0.00   0.13   0.06    -0.00   0.02   0.00    -0.04  -0.08  -0.01
     7   1     0.06  -0.02  -0.28     0.49  -0.14   0.31     0.21  -0.06   0.25
     8   1     0.29  -0.32  -0.14    -0.33   0.34   0.13     0.40   0.14   0.08
     9   1     0.10  -0.15   0.16    -0.05  -0.35  -0.47     0.16  -0.12   0.34
    10   6     0.06   0.08   0.05     0.01   0.02  -0.01    -0.16  -0.01  -0.08
    11   6     0.05  -0.02  -0.01     0.01  -0.01  -0.01    -0.17   0.04  -0.02
    12   6    -0.04  -0.05  -0.04    -0.00  -0.02   0.01    -0.15   0.03   0.08
    13   6    -0.11  -0.00   0.01    -0.02  -0.01   0.00    -0.08  -0.02  -0.03
    14   6    -0.09   0.10   0.07    -0.01   0.02  -0.01    -0.08  -0.07  -0.09
    15   1     0.13   0.11   0.07     0.03   0.02  -0.02    -0.25  -0.04  -0.14
    16   1     0.11  -0.07  -0.04     0.03  -0.02  -0.02    -0.18   0.05  -0.03
    17   1    -0.06  -0.11  -0.11    -0.00  -0.04   0.03    -0.14   0.05   0.19
    18   1    -0.19  -0.03   0.00    -0.04  -0.01   0.01    -0.01   0.02  -0.04
    19   1    -0.14   0.14   0.09    -0.02   0.03  -0.02    -0.08  -0.07  -0.15
                      7                      8                      9
                      A                      A                      A
 Frequencies --    336.4176               413.5041               492.6240
 Red. masses --      3.2429                 2.9314                 3.3121
 Frc consts  --      0.2162                 0.2953                 0.4736
 IR Inten    --      4.0323                 0.0255                 6.6527
 RamAct Fr= 1--      0.2948                 0.0243                 5.1471
  Dep-P Fr= 1--      0.6523                 0.5444                 0.0826
  Dep-U Fr= 1--      0.7895                 0.7050                 0.1527
 Alpha2 Fr= 1--      0.0005                 0.0001                 0.0940
 Beta2  Fr= 1--      0.0388                 0.0029                 0.1310
 AlphaG Fr= 1--     -0.0020                 0.0019                 0.0700
 Gamma2 Fr= 1--     -0.8029                 0.1115                -0.1788
 Delta2 Fr= 1--     -0.2452                 0.0026                 0.0637
 Raman1 Fr= 1--       1.179                  0.097                 20.588
 ROA1   Fr= 1--     -84.924                 10.789                -15.129
 CID1   Fr= 1--     -72.026                111.072                 -0.735
 Raman2 Fr= 1--       0.465                  0.034                  1.572
 ROA2   Fr= 1--     -17.307                  2.656                 -4.802
 CID2   Fr= 1--     -37.183                 77.577                 -3.055
 Raman3 Fr= 1--       0.931                  0.068                  3.143
 ROA3   Fr= 1--     -84.924                 10.789                -15.129
 CID3   Fr= 1--     -91.226                157.556                 -4.813
 RC180  Fr= 1--       0.579                  0.410                 -0.695
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.12   0.09  -0.10    -0.00   0.01  -0.00     0.03   0.12  -0.15
     2   6    -0.01   0.03  -0.14    -0.00  -0.00  -0.00    -0.17  -0.12  -0.06
     3   1    -0.01   0.24  -0.23    -0.01  -0.00   0.00    -0.07   0.11  -0.20
     4   1     0.03   0.04  -0.13    -0.01  -0.00  -0.00    -0.28  -0.16  -0.02
     5   6     0.18   0.03   0.01     0.01  -0.00   0.00    -0.12  -0.12   0.18
     6   6    -0.02  -0.05  -0.03    -0.00   0.00  -0.00    -0.06   0.05   0.04
     7   1     0.30  -0.02   0.14     0.01  -0.01   0.01    -0.23  -0.24   0.42
     8   1     0.33   0.23  -0.03    -0.00   0.01   0.00     0.16   0.14   0.10
     9   1     0.14  -0.15   0.12     0.00  -0.01  -0.01    -0.12  -0.11   0.45
    10   6    -0.04  -0.07   0.15    -0.00   0.04  -0.21     0.05   0.01  -0.00
    11   6    -0.04  -0.01   0.06     0.01  -0.04   0.21     0.07  -0.05  -0.03
    12   6    -0.02   0.04  -0.16    -0.00  -0.00  -0.00     0.12  -0.04   0.01
    13   6     0.02  -0.03   0.07    -0.01   0.04  -0.20     0.04   0.03  -0.01
    14   6     0.01  -0.08   0.15     0.01  -0.04   0.21     0.04   0.10   0.01
    15   1    -0.06  -0.11   0.26    -0.01   0.09  -0.44     0.16   0.06  -0.02
    16   1    -0.06  -0.00   0.09     0.01  -0.09   0.45     0.06  -0.03  -0.05
    17   1    -0.02   0.11  -0.38    -0.00  -0.00   0.00     0.12  -0.06   0.02
    18   1     0.05  -0.02   0.11    -0.01   0.08  -0.43    -0.05   0.00  -0.04
    19   1     0.05  -0.12   0.25     0.02  -0.08   0.46     0.05   0.09  -0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    543.1271               607.1570               638.6029
 Red. masses --      3.0795                 3.2153                 6.3389
 Frc consts  --      0.5352                 0.6983                 1.5231
 IR Inten    --      9.3841                15.1904                 0.0910
 RamAct Fr= 1--      0.4185                 1.0615                 4.5854
  Dep-P Fr= 1--      0.7224                 0.7063                 0.7334
  Dep-U Fr= 1--      0.8389                 0.8279                 0.8462
 Alpha2 Fr= 1--      0.0002                 0.0008                 0.0013
 Beta2  Fr= 1--      0.0585                 0.1465                 0.6467
 AlphaG Fr= 1--     -0.0008                 0.0024                 0.0038
 Gamma2 Fr= 1--     -0.1817                -0.0164                 0.0622
 Delta2 Fr= 1--     -0.0693                 0.0412                -0.0203
 Raman1 Fr= 1--       1.674                  4.246                 18.342
 ROA1   Fr= 1--     -19.661                 -0.255                  5.319
 CID1   Fr= 1--     -11.746                 -0.060                  0.290
 Raman2 Fr= 1--       0.702                  1.758                  7.760
 ROA2   Fr= 1--      -3.806                 -0.723                  1.654
 CID2   Fr= 1--      -5.421                 -0.411                  0.213
 Raman3 Fr= 1--       1.404                  3.515                 15.521
 ROA3   Fr= 1--     -19.661                 -0.255                  5.319
 CID3   Fr= 1--     -14.002                 -0.073                  0.343
 RC180  Fr= 1--       0.678                  0.656                  0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.08  -0.01  -0.05     0.08  -0.03   0.02    -0.01   0.00  -0.02
     2   6    -0.07   0.12  -0.01    -0.15   0.19   0.10     0.02  -0.03  -0.02
     3   1     0.03   0.01   0.00     0.20  -0.17   0.29    -0.04   0.02  -0.06
     4   1    -0.07   0.16  -0.10    -0.14   0.22   0.03     0.04  -0.04  -0.00
     5   6     0.07   0.05  -0.05    -0.00   0.01   0.00    -0.01  -0.04   0.02
     6   6    -0.05  -0.07   0.25    -0.15  -0.00  -0.09    -0.00  -0.13  -0.02
     7   1     0.26   0.13  -0.18     0.29   0.15  -0.24    -0.05  -0.06   0.07
     8   1     0.19  -0.02  -0.10     0.05  -0.17  -0.03    -0.01   0.01   0.02
     9   1     0.02  -0.19   0.06    -0.08  -0.32   0.07    -0.01  -0.01   0.02
    10   6    -0.01  -0.08   0.03    -0.03  -0.14  -0.09     0.21  -0.21  -0.04
    11   6    -0.01  -0.01  -0.12    -0.00  -0.10   0.05     0.29   0.21   0.03
    12   6     0.07  -0.03   0.17     0.15   0.02  -0.10     0.00   0.14   0.03
    13   6     0.04   0.04  -0.12     0.05   0.07   0.08    -0.22   0.26   0.05
    14   6     0.02  -0.03   0.04    -0.00   0.03  -0.05    -0.26  -0.17  -0.02
    15   1    -0.00  -0.02  -0.24     0.06  -0.13   0.06     0.05  -0.27  -0.07
    16   1    -0.08   0.10  -0.43    -0.14  -0.03   0.28     0.18   0.30   0.03
    17   1     0.07  -0.01   0.20     0.15   0.02  -0.06    -0.06  -0.28  -0.06
    18   1     0.02   0.10  -0.44    -0.02   0.01   0.28    -0.06   0.33   0.04
    19   1     0.09  -0.03  -0.24     0.16  -0.11   0.07    -0.15  -0.25  -0.06
                     13                     14                     15
                      A                      A                      A
 Frequencies --    711.6872               767.4278               789.4734
 Red. masses --      1.6933                 3.0851                 2.2557
 Frc consts  --      0.5053                 1.0705                 0.8284
 IR Inten    --     47.7269                23.3696                10.1280
 RamAct Fr= 1--      0.0548                12.8941                 3.8918
  Dep-P Fr= 1--      0.7462                 0.0416                 0.1246
  Dep-U Fr= 1--      0.8547                 0.0799                 0.2216
 Alpha2 Fr= 1--      0.0000                 0.2598                 0.0641
 Beta2  Fr= 1--      0.0078                 0.1717                 0.1437
 AlphaG Fr= 1--     -0.0001                 0.0266                -0.0215
 Gamma2 Fr= 1--     -0.0323                -0.8892                -0.9179
 Delta2 Fr= 1--     -0.0046                -0.5079                -0.1673
 Raman1 Fr= 1--       0.219                 51.577                 15.567
 ROA1   Fr= 1--      -3.246               -101.620                -93.472
 CID1   Fr= 1--     -14.813                 -1.970                 -6.004
 Raman2 Fr= 1--       0.094                  2.060                  1.725
 ROA2   Fr= 1--      -0.737                -17.278                -20.691
 CID2   Fr= 1--      -7.874                 -8.387                -11.996
 Raman3 Fr= 1--       0.187                  4.120                  3.450
 ROA3   Fr= 1--      -3.246               -101.620                -93.472
 CID3   Fr= 1--     -17.332                -24.664                -27.097
 RC180  Fr= 1--       0.709                 -0.840                 -0.557
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.01  -0.00   0.00     0.03  -0.01   0.09    -0.03  -0.00   0.01
     2   6    -0.00   0.00   0.00     0.10  -0.12  -0.05     0.05  -0.08  -0.03
     3   1     0.01  -0.02   0.02    -0.06   0.06  -0.07    -0.10   0.07  -0.13
     4   1     0.01   0.00   0.01     0.11  -0.16   0.06     0.02  -0.10  -0.01
     5   6     0.00  -0.00   0.00     0.07   0.03  -0.06     0.06   0.04  -0.06
     6   6    -0.01   0.02  -0.10    -0.09   0.03  -0.11    -0.02  -0.04   0.22
     7   1    -0.01  -0.00   0.00    -0.19  -0.07   0.11    -0.07  -0.03   0.07
     8   1    -0.01   0.00   0.01    -0.03   0.15  -0.01     0.08   0.16  -0.06
     9   1     0.00   0.00  -0.01     0.15   0.35  -0.17     0.09   0.19  -0.05
    10   6    -0.00  -0.02   0.06    -0.06  -0.11   0.04    -0.02  -0.02  -0.08
    11   6    -0.01   0.02  -0.14    -0.07  -0.13  -0.03    -0.02  -0.05  -0.00
    12   6     0.01  -0.01   0.07     0.14  -0.04   0.07     0.04   0.02  -0.13
    13   6    -0.01   0.04  -0.14    -0.06   0.16   0.03    -0.03   0.06   0.02
    14   6    -0.00  -0.01   0.07    -0.04   0.14   0.09    -0.02   0.07  -0.07
    15   1     0.02  -0.10   0.50     0.03  -0.06  -0.07     0.01  -0.02  -0.02
    16   1    -0.01  -0.04   0.22    -0.24   0.05  -0.32    -0.06  -0.10   0.47
    17   1     0.02  -0.11   0.55     0.12   0.02  -0.34     0.06  -0.13   0.52
    18   1    -0.00  -0.04   0.23    -0.28   0.14  -0.31    -0.09  -0.06   0.47
    19   1     0.02  -0.09   0.50     0.02   0.12  -0.04     0.00   0.05  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    855.8034               904.5879               929.3942
 Red. masses --      1.2486                 2.3693                 1.4970
 Frc consts  --      0.5388                 1.1423                 0.7619
 IR Inten    --      0.0318                19.4717                 7.1707
 RamAct Fr= 1--      1.9958                 4.5868                 2.0733
  Dep-P Fr= 1--      0.7273                 0.6099                 0.7243
  Dep-U Fr= 1--      0.8421                 0.7577                 0.8401
 Alpha2 Fr= 1--      0.0008                 0.0118                 0.0009
 Beta2  Fr= 1--      0.2801                 0.5792                 0.2903
 AlphaG Fr= 1--     -0.0022                -0.0034                -0.0049
 Gamma2 Fr= 1--      0.0651                 1.3662                 0.1366
 Delta2 Fr= 1--      0.0222                 1.7672                 0.1647
 Raman1 Fr= 1--       7.983                 18.347                  8.293
 ROA1   Fr= 1--       6.962                187.704                 18.386
 CID1   Fr= 1--       0.872                 10.231                  2.217
 Raman2 Fr= 1--       3.361                  6.951                  3.484
 ROA2   Fr= 1--       1.385                 18.651                  1.962
 CID2   Fr= 1--       0.412                  2.683                  0.563
 Raman3 Fr= 1--       6.723                 13.901                  6.967
 ROA3   Fr= 1--       6.962                187.704                 18.386
 CID3   Fr= 1--       1.036                 13.503                  2.639
 RC180  Fr= 1--       0.684                  0.515                  0.680
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00  -0.00     0.06  -0.03   0.17     0.02  -0.01   0.04
     2   6     0.00  -0.00   0.00    -0.16  -0.05  -0.09    -0.02   0.01  -0.03
     3   1    -0.00   0.00  -0.01     0.05   0.01   0.12     0.02  -0.00   0.04
     4   1     0.00   0.01  -0.01    -0.24  -0.14   0.11     0.00   0.00   0.00
     5   6    -0.00   0.00   0.00    -0.00   0.07  -0.16    -0.02  -0.01   0.00
     6   6    -0.00  -0.00  -0.00    -0.03   0.00  -0.00    -0.00   0.02  -0.09
     7   1     0.01   0.01  -0.01    -0.00  -0.11   0.23     0.00  -0.01   0.01
     8   1     0.00  -0.01  -0.00     0.45   0.56  -0.28     0.02   0.01  -0.01
     9   1    -0.00  -0.00   0.00    -0.02  -0.01   0.24    -0.02  -0.03   0.03
    10   6    -0.00   0.01  -0.08     0.02   0.03  -0.01     0.00  -0.02   0.10
    11   6    -0.00   0.01  -0.07     0.05   0.05   0.01     0.00   0.01  -0.01
    12   6    -0.00   0.00  -0.00    -0.02  -0.00   0.02    -0.00   0.02  -0.10
    13   6     0.00  -0.01   0.07     0.03  -0.05  -0.01     0.00  -0.00  -0.01
    14   6     0.00  -0.01   0.08     0.00  -0.03  -0.02     0.00  -0.02   0.11
    15   1     0.02  -0.09   0.51     0.02   0.02   0.10    -0.02   0.10  -0.54
    16   1     0.01  -0.09   0.46     0.11   0.01  -0.01     0.01  -0.00   0.01
    17   1    -0.00  -0.00   0.01    -0.02   0.01  -0.12     0.01  -0.11   0.58
    18   1    -0.01   0.09  -0.47     0.09  -0.02  -0.04     0.01  -0.01   0.01
    19   1    -0.02   0.09  -0.50     0.01  -0.06   0.08    -0.02   0.10  -0.54
                     19                     20                     21
                      A                      A                      A
 Frequencies --    961.2954               977.1083              1015.6811
 Red. masses --      1.3609                 1.2368                 1.9464
 Frc consts  --      0.7410                 0.6957                 1.1831
 IR Inten    --      0.0291                 0.5451                33.5969
 RamAct Fr= 1--      0.1161                 0.0654                30.2330
  Dep-P Fr= 1--      0.2660                 0.5166                 0.0779
  Dep-U Fr= 1--      0.4202                 0.6813                 0.1446
 Alpha2 Fr= 1--      0.0013                 0.0003                 0.5585
 Beta2  Fr= 1--      0.0081                 0.0074                 0.7287
 AlphaG Fr= 1--     -0.0125                 0.0034                -0.1311
 Gamma2 Fr= 1--     -0.2304                 0.1200                 0.8263
 Delta2 Fr= 1--      0.0510                 0.0163                 0.8385
 Raman1 Fr= 1--       0.465                  0.262                120.932
 ROA1   Fr= 1--     -20.484                 12.039                106.161
 CID1   Fr= 1--     -44.092                 45.995                  0.878
 Raman2 Fr= 1--       0.098                  0.089                  8.744
 ROA2   Fr= 1--      -5.937                  2.750                 13.124
 CID2   Fr= 1--     -60.823                 30.837                  1.501
 Raman3 Fr= 1--       0.195                  0.178                 17.488
 ROA3   Fr= 1--     -20.484                 12.039                106.161
 CID3   Fr= 1--    -104.921                 67.511                  6.070
 RC180  Fr= 1--      -0.160                  0.363                 -0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00    -0.00   0.00  -0.01    -0.03   0.01  -0.09
     2   6     0.00  -0.00  -0.00    -0.00  -0.00   0.01    -0.04   0.01   0.14
     3   1    -0.01   0.01  -0.01     0.00  -0.01   0.01     0.12  -0.14   0.21
     4   1     0.01   0.00  -0.01    -0.01  -0.01   0.01    -0.34  -0.13   0.31
     5   6    -0.00   0.00   0.00     0.01   0.00  -0.00     0.12  -0.02  -0.05
     6   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.05   0.03  -0.01
     7   1     0.01   0.01  -0.00    -0.01  -0.00   0.01    -0.32  -0.14   0.15
     8   1     0.01  -0.01  -0.00    -0.00   0.01  -0.00    -0.13   0.16   0.05
     9   1    -0.01  -0.01   0.01     0.01   0.02  -0.01     0.24   0.51  -0.21
    10   6    -0.00   0.01  -0.08     0.00   0.01  -0.04    -0.03   0.06   0.02
    11   6     0.00  -0.02   0.09     0.00  -0.01   0.08     0.02   0.02   0.00
    12   6    -0.00  -0.00   0.01    -0.00   0.02  -0.08     0.09   0.00  -0.00
    13   6    -0.00   0.02  -0.09     0.00  -0.01   0.07     0.03  -0.05  -0.01
    14   6     0.00  -0.01   0.09    -0.00   0.00  -0.03    -0.07  -0.11  -0.00
    15   1     0.02  -0.08   0.44     0.01  -0.05   0.29    -0.00   0.08  -0.03
    16   1    -0.02   0.09  -0.47    -0.02   0.11  -0.53    -0.01   0.04   0.02
    17   1    -0.01   0.01  -0.04     0.02  -0.10   0.54     0.10   0.05   0.00
    18   1     0.02  -0.10   0.54    -0.01   0.09  -0.46     0.09  -0.04   0.03
    19   1    -0.01   0.09  -0.48     0.01  -0.05   0.25    -0.07  -0.09  -0.12
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1027.9852              1054.3369              1077.6338
 Red. masses --      4.3642                 2.2617                 2.6523
 Frc consts  --      2.7173                 1.4813                 1.8147
 IR Inten    --      7.4611                10.7694                26.4820
 RamAct Fr= 1--     28.1457                23.0793                 4.9588
  Dep-P Fr= 1--      0.0527                 0.0409                 0.7050
  Dep-U Fr= 1--      0.1000                 0.0785                 0.8270
 Alpha2 Fr= 1--      0.5525                 0.4659                 0.0039
 Beta2  Fr= 1--      0.4693                 0.3021                 0.6835
 AlphaG Fr= 1--      0.0421                 0.0153                 0.0178
 Gamma2 Fr= 1--     -0.1796                 0.1746                -0.4341
 Delta2 Fr= 1--      0.2366                -0.0243                -1.8331
 Raman1 Fr= 1--     112.583                 92.317                 19.835
 ROA1   Fr= 1--      -9.675                 15.990               -100.336
 CID1   Fr= 1--      -0.086                  0.173                 -5.058
 Raman2 Fr= 1--       5.632                  3.625                  8.202
 ROA2   Fr= 1--      -6.204                  4.386                  4.246
 CID2   Fr= 1--      -1.102                  1.210                  0.518
 Raman3 Fr= 1--      11.263                  7.250                 16.404
 ROA3   Fr= 1--      -9.675                 15.990               -100.336
 CID3   Fr= 1--      -0.859                  2.206                 -6.117
 RC180  Fr= 1--      -0.800                 -0.843                  0.654
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.02  -0.01   0.06     0.02  -0.00   0.02    -0.02   0.01  -0.09
     2   6     0.04  -0.02  -0.09    -0.00  -0.02  -0.03    -0.04  -0.19   0.19
     3   1    -0.11   0.11  -0.18    -0.07   0.06  -0.12    -0.02  -0.01  -0.07
     4   1     0.18   0.08  -0.23     0.04   0.02  -0.11     0.13  -0.15   0.17
     5   6    -0.06   0.02   0.04     0.01   0.02   0.03     0.01   0.15  -0.03
     6   6     0.04  -0.02   0.01    -0.04  -0.00   0.00    -0.04  -0.05  -0.06
     7   1     0.21   0.12  -0.13     0.05   0.08  -0.11     0.37   0.29  -0.26
     8   1     0.05  -0.15  -0.01    -0.07  -0.13   0.05     0.19   0.00  -0.11
     9   1    -0.15  -0.32   0.10     0.00  -0.03  -0.08    -0.06  -0.15   0.03
    10   6    -0.11   0.30   0.05    -0.06  -0.05  -0.01    -0.05   0.06   0.03
    11   6    -0.03  -0.05  -0.01     0.07   0.19   0.04     0.07   0.04   0.01
    12   6     0.28  -0.05  -0.02     0.13  -0.02  -0.01    -0.03  -0.06  -0.01
    13   6    -0.03   0.08   0.02     0.00  -0.19  -0.04    -0.03   0.05   0.01
    14   6    -0.17  -0.22  -0.04    -0.03   0.08   0.01     0.08   0.04   0.02
    15   1    -0.09   0.31   0.10    -0.38  -0.17  -0.01    -0.22   0.02  -0.06
    16   1     0.03  -0.08  -0.03    -0.20   0.40   0.08     0.25  -0.09  -0.03
    17   1     0.29  -0.10  -0.02     0.14  -0.06  -0.02    -0.07  -0.39  -0.06
    18   1    -0.05   0.06   0.01    -0.36  -0.34  -0.06    -0.17   0.00   0.00
    19   1    -0.10  -0.29  -0.02    -0.27   0.25   0.07     0.29  -0.11  -0.07
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1090.3171              1121.3604              1185.8674
 Red. masses --      1.7098                 1.6908                 1.1182
 Frc consts  --      1.1976                 1.2527                 0.9265
 IR Inten    --     54.8284                 2.7275                 0.0557
 RamAct Fr= 1--      1.2151                 1.6101                 3.2934
  Dep-P Fr= 1--      0.6085                 0.6000                 0.7400
  Dep-U Fr= 1--      0.7566                 0.7500                 0.8506
 Alpha2 Fr= 1--      0.0032                 0.0045                 0.0006
 Beta2  Fr= 1--      0.1532                 0.2013                 0.4669
 AlphaG Fr= 1--      0.0087                 0.0135                 0.0012
 Gamma2 Fr= 1--     -0.3996                 1.5081                 0.1468
 Delta2 Fr= 1--     -0.3638                 0.7586                -0.0658
 Raman1 Fr= 1--       4.860                  6.440                 13.174
 ROA1   Fr= 1--     -50.006                169.051                 11.987
 CID1   Fr= 1--     -10.289                 26.249                  0.910
 Raman2 Fr= 1--       1.839                  2.415                  5.603
 ROA2   Fr= 1--      -6.680                 30.124                  4.049
 CID2   Fr= 1--      -3.633                 12.474                  0.723
 Raman3 Fr= 1--       3.677                  4.830                 11.206
 ROA3   Fr= 1--     -50.006                169.051                 11.987
 CID3   Fr= 1--     -13.598                 34.999                  1.070
 RC180  Fr= 1--       0.513                  0.500                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.05  -0.00  -0.06     0.01  -0.00  -0.02     0.00  -0.00  -0.00
     2   6     0.10   0.05   0.09    -0.02  -0.12   0.08     0.01   0.00   0.00
     3   1     0.16  -0.15   0.27    -0.11   0.07  -0.20    -0.01   0.01  -0.02
     4   1     0.26   0.00   0.25    -0.01  -0.08  -0.01    -0.01   0.00  -0.00
     5   6    -0.10  -0.04  -0.08    -0.01   0.08  -0.01    -0.00  -0.00  -0.00
     6   6     0.10  -0.02  -0.01     0.00   0.04  -0.02    -0.00   0.00  -0.00
     7   1     0.04  -0.18   0.28     0.22   0.18  -0.16     0.01  -0.00   0.00
     8   1     0.31   0.31  -0.19     0.10  -0.04  -0.05     0.01   0.01  -0.00
     9   1    -0.14  -0.22   0.36    -0.06  -0.15   0.01    -0.00   0.00   0.01
    10   6    -0.00  -0.01  -0.00     0.09  -0.04  -0.00    -0.01  -0.01  -0.00
    11   6    -0.04   0.00   0.00    -0.05  -0.04  -0.01     0.04  -0.03  -0.01
    12   6     0.05  -0.00  -0.00     0.01   0.07   0.01     0.01   0.07   0.01
    13   6    -0.03   0.00   0.00     0.04  -0.05  -0.01    -0.04  -0.02  -0.00
    14   6    -0.02   0.02   0.01    -0.10  -0.01   0.00     0.01  -0.01  -0.00
    15   1    -0.11  -0.06  -0.02     0.45   0.11  -0.03    -0.18  -0.08  -0.01
    16   1    -0.19   0.11   0.03    -0.21   0.08   0.02     0.40  -0.30  -0.07
    17   1     0.06   0.03   0.00     0.07   0.48   0.10     0.09   0.65   0.13
    18   1    -0.17  -0.06  -0.00     0.22   0.01  -0.01    -0.44  -0.17  -0.02
    19   1    -0.17   0.15   0.01    -0.37   0.19   0.04     0.13  -0.10  -0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1208.6295              1229.9690              1254.8482
 Red. masses --      1.1338                 1.9998                 1.6801
 Frc consts  --      0.9759                 1.7824                 1.5587
 IR Inten    --      0.1525                19.0416                 9.7728
 RamAct Fr= 1--      4.3307                19.2520                13.3606
  Dep-P Fr= 1--      0.5389                 0.0944                 0.0494
  Dep-U Fr= 1--      0.7003                 0.1725                 0.0941
 Alpha2 Fr= 1--      0.0176                 0.3417                 0.2643
 Beta2  Fr= 1--      0.5055                 0.5536                 0.2096
 AlphaG Fr= 1--      0.0049                -0.0311                 0.0284
 Gamma2 Fr= 1--     -0.0645                -1.0451                -1.8835
 Delta2 Fr= 1--      0.0351                -0.4264                 0.3080
 Raman1 Fr= 1--      17.323                 77.008                 53.443
 ROA1   Fr= 1--      -5.068               -113.972               -170.960
 CID1   Fr= 1--      -0.293                 -1.480                 -3.199
 Raman2 Fr= 1--       6.066                  6.643                  2.515
 ROA2   Fr= 1--      -1.829                -21.671                -47.669
 CID2   Fr= 1--      -0.301                 -3.262                -18.956
 Raman3 Fr= 1--      12.132                 13.285                  5.029
 ROA3   Fr= 1--      -5.068               -113.972               -170.960
 CID3   Fr= 1--      -0.418                 -8.579                -33.993
 RC180  Fr= 1--       0.401                 -0.655                 -0.812
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00   0.00     0.01  -0.01   0.01    -0.02   0.04  -0.00
     2   6     0.00  -0.00  -0.00    -0.09   0.01   0.04    -0.12  -0.06  -0.12
     3   1     0.00   0.00   0.00    -0.12   0.10  -0.22     0.36  -0.24   0.61
     4   1     0.01   0.00  -0.01    -0.71  -0.05  -0.08     0.25  -0.17   0.27
     5   6    -0.00  -0.00   0.00     0.02   0.03   0.01     0.05   0.04   0.05
     6   6    -0.01   0.00   0.00     0.24   0.03  -0.02     0.08  -0.09   0.01
     7   1     0.00  -0.00   0.00     0.00   0.07  -0.08    -0.04   0.11  -0.15
     8   1    -0.00   0.01   0.00    -0.03  -0.01   0.02    -0.12  -0.15   0.08
     9   1     0.01   0.03   0.01     0.01   0.02  -0.04     0.03  -0.02  -0.19
    10   6     0.05   0.02   0.00     0.01  -0.03  -0.00     0.04   0.03   0.00
    11   6    -0.03   0.03   0.01    -0.05  -0.05  -0.01    -0.04  -0.00   0.00
    12   6    -0.01   0.00   0.00     0.02   0.01   0.00     0.01  -0.01  -0.00
    13   6    -0.05  -0.02  -0.00    -0.07   0.05   0.01    -0.00   0.04   0.01
    14   6     0.05  -0.03  -0.01     0.06  -0.04  -0.01    -0.01   0.02   0.00
    15   1     0.47   0.19   0.02    -0.36  -0.19  -0.03     0.04   0.02   0.02
    16   1    -0.36   0.28   0.07    -0.28   0.11   0.03    -0.02  -0.02   0.00
    17   1    -0.01   0.01   0.00    -0.00  -0.08  -0.01     0.02   0.10   0.02
    18   1    -0.46  -0.19  -0.02    -0.20   0.00   0.01    -0.17  -0.03   0.01
    19   1     0.42  -0.31  -0.07    -0.06   0.06   0.00    -0.17   0.15   0.03
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1331.4029              1356.6980              1388.0265
 Red. masses --      2.6409                 1.8457                 1.3115
 Frc consts  --      2.7582                 2.0016                 1.4887
 IR Inten    --     15.4832                 4.6040                 4.1973
 RamAct Fr= 1--      0.7308                 0.6781                 2.7594
  Dep-P Fr= 1--      0.5106                 0.6955                 0.4221
  Dep-U Fr= 1--      0.6760                 0.8204                 0.5937
 Alpha2 Fr= 1--      0.0034                 0.0006                 0.0189
 Beta2  Fr= 1--      0.0823                 0.0927                 0.2730
 AlphaG Fr= 1--     -0.0156                 0.0004                 0.0014
 Gamma2 Fr= 1--      0.6483                 0.5160                -1.3754
 Delta2 Fr= 1--      0.2623                -0.3085                -0.5452
 Raman1 Fr= 1--       2.923                  2.712                 11.038
 ROA1   Fr= 1--      70.628                 39.661               -149.480
 CID1   Fr= 1--      24.163                 14.622                -13.543
 Raman2 Fr= 1--       0.988                  1.113                  3.276
 ROA2   Fr= 1--      13.461                 14.851                -28.647
 CID2   Fr= 1--      13.625                 13.347                 -8.744
 Raman3 Fr= 1--       1.976                  2.225                  6.553
 ROA3   Fr= 1--      70.628                 39.661               -149.480
 CID3   Fr= 1--      35.745                 17.823                -22.813
 RC180  Fr= 1--       0.352                  0.641                  0.187
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.02   0.02  -0.01     0.01  -0.00   0.00     0.00  -0.02  -0.00
     2   6     0.09  -0.06  -0.10    -0.06   0.01   0.03     0.09   0.05  -0.05
     3   1     0.20  -0.14   0.34    -0.03   0.03  -0.06    -0.08   0.03  -0.12
     4   1    -0.11  -0.32   0.38     0.25   0.14  -0.14    -0.49  -0.31   0.51
     5   6    -0.04   0.06   0.04     0.03  -0.01  -0.02    -0.01   0.06   0.01
     6   6    -0.02   0.22   0.05     0.02  -0.01  -0.00    -0.03  -0.06  -0.01
     7   1     0.15   0.11  -0.05    -0.11  -0.05   0.03     0.01   0.01   0.09
     8   1     0.07  -0.19  -0.01    -0.06   0.05   0.01    -0.06  -0.21   0.02
     9   1    -0.10  -0.18  -0.03     0.03   0.00   0.01    -0.08  -0.21   0.08
    10   6    -0.10  -0.06  -0.01    -0.13  -0.03  -0.00    -0.01  -0.01  -0.00
    11   6     0.11  -0.08  -0.02     0.06  -0.04  -0.01    -0.03   0.04   0.01
    12   6     0.01   0.10   0.02     0.02   0.13   0.03    -0.00   0.01   0.00
    13   6    -0.11  -0.08  -0.01    -0.07  -0.01   0.00     0.06   0.02   0.00
    14   6     0.05  -0.07  -0.01     0.13  -0.07  -0.02    -0.00  -0.00  -0.00
    15   1    -0.13  -0.08   0.00     0.48   0.22   0.03     0.24   0.09   0.02
    16   1    -0.21   0.16   0.04     0.14  -0.10  -0.02     0.21  -0.15  -0.04
    17   1    -0.01  -0.06  -0.01    -0.05  -0.32  -0.06    -0.03  -0.17  -0.03
    18   1     0.35   0.10   0.01    -0.19  -0.05  -0.00    -0.21  -0.09  -0.01
    19   1     0.20  -0.18  -0.03    -0.44   0.36   0.08    -0.14   0.10   0.03
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1409.8979              1412.3693              1489.1476
 Red. masses --      1.2629                 1.2098                 1.1291
 Frc consts  --      1.4790                 1.4219                 1.4752
 IR Inten    --     14.4930                51.3750                 2.6136
 RamAct Fr= 1--      0.3242                 3.6897                 2.9251
  Dep-P Fr= 1--      0.6945                 0.6826                 0.6772
  Dep-U Fr= 1--      0.8197                 0.8114                 0.8075
 Alpha2 Fr= 1--      0.0003                 0.0044                 0.0038
 Beta2  Fr= 1--      0.0443                 0.4989                 0.3937
 AlphaG Fr= 1--      0.0012                -0.0074                -0.0227
 Gamma2 Fr= 1--     -0.0289                 1.8411                 1.3474
 Delta2 Fr= 1--      0.1280                 0.3047                -0.4164
 Raman1 Fr= 1--       1.297                 14.759                 11.700
 ROA1   Fr= 1--       1.323                186.495                116.028
 CID1   Fr= 1--       1.020                 12.636                  9.917
 Raman2 Fr= 1--       0.531                  5.987                  4.724
 ROA2   Fr= 1--      -1.718                 41.749                 35.670
 CID2   Fr= 1--      -3.233                  6.973                  7.550
 Raman3 Fr= 1--       1.063                 11.975                  9.448
 ROA3   Fr= 1--       1.323                186.495                116.028
 CID3   Fr= 1--       1.244                 15.574                 12.280
 RC180  Fr= 1--       0.639                  0.623                  0.615
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.01  -0.00     0.03  -0.05  -0.01    -0.01   0.01   0.00
     2   6     0.02   0.03  -0.02    -0.08   0.06  -0.01     0.03  -0.03  -0.01
     3   1    -0.04   0.01  -0.06    -0.25   0.13  -0.41     0.04  -0.03   0.09
     4   1    -0.03  -0.07   0.20     0.47  -0.12   0.62    -0.06  -0.03  -0.06
     5   6    -0.08  -0.09   0.08     0.03  -0.01  -0.00     0.03  -0.03  -0.01
     6   6     0.00  -0.01   0.00     0.02   0.01   0.01     0.01   0.04   0.01
     7   1     0.28   0.19  -0.41    -0.12   0.01  -0.07    -0.11   0.18  -0.47
     8   1     0.44   0.37  -0.08    -0.17   0.08   0.07    -0.40   0.52   0.17
     9   1     0.05   0.39  -0.37     0.01  -0.06   0.08    -0.01  -0.15   0.41
    10   6    -0.01  -0.00  -0.00     0.01   0.01   0.00     0.01  -0.02  -0.00
    11   6    -0.01   0.01   0.00     0.02  -0.02  -0.00    -0.04   0.01   0.00
    12   6     0.00   0.01   0.00    -0.00  -0.01  -0.00     0.01   0.03   0.01
    13   6     0.01   0.00  -0.00    -0.03  -0.00  -0.00     0.03  -0.01  -0.00
    14   6     0.00  -0.00  -0.00     0.01   0.00   0.00    -0.03  -0.00   0.00
    15   1     0.06   0.02   0.01    -0.11  -0.03   0.00     0.01  -0.03  -0.01
    16   1     0.05  -0.04  -0.01    -0.11   0.08   0.02     0.10  -0.09  -0.02
    17   1    -0.01  -0.06  -0.01     0.01   0.09   0.02    -0.02  -0.16  -0.03
    18   1    -0.05  -0.02  -0.00     0.09   0.04   0.00    -0.05  -0.05  -0.01
    19   1    -0.06   0.04   0.02     0.06  -0.04  -0.01     0.04  -0.06  -0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1493.2073              1497.1892              1535.4642
 Red. masses --      1.9079                 1.0551                 2.2007
 Frc consts  --      2.5064                 1.3935                 3.0570
 IR Inten    --     12.6097                 4.6448                 5.2699
 RamAct Fr= 1--      1.3168                 5.6003                 0.0715
  Dep-P Fr= 1--      0.6159                 0.6148                 0.3156
  Dep-U Fr= 1--      0.7623                 0.7614                 0.4798
 Alpha2 Fr= 1--      0.0032                 0.0139                 0.0007
 Beta2  Fr= 1--      0.1673                 0.7107                 0.0057
 AlphaG Fr= 1--      0.0086                -0.0459                 0.0001
 Gamma2 Fr= 1--     -3.5819                -0.2328                 0.1638
 Delta2 Fr= 1--      1.4647                -0.9415                -0.0885
 Raman1 Fr= 1--       5.267                 22.401                  0.286
 ROA1   Fr= 1--    -296.990                -52.474                 12.892
 CID1   Fr= 1--     -56.385                 -2.342                 45.048
 Raman2 Fr= 1--       2.008                  8.529                  0.069
 ROA2   Fr= 1--     -97.682                  1.946                  4.639
 CID2   Fr= 1--     -48.656                  0.228                 67.581
 Raman3 Fr= 1--       4.015                 17.057                  0.137
 ROA3   Fr= 1--    -296.990                -52.474                 12.892
 CID3   Fr= 1--     -73.965                 -3.076                 93.897
 RC180  Fr= 1--       0.525                  0.523                 -0.040
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     2   6     0.05   0.02  -0.01    -0.02  -0.00  -0.02    -0.04   0.01   0.01
     3   1     0.03  -0.02   0.05     0.01  -0.00   0.01    -0.01   0.01  -0.03
     4   1    -0.34  -0.05  -0.02     0.03  -0.03   0.05    -0.01   0.01   0.01
     5   6     0.00  -0.02   0.00    -0.03  -0.02  -0.04     0.00   0.01   0.00
     6   6    -0.02  -0.14  -0.03     0.01   0.00   0.00     0.14  -0.02  -0.01
     7   1     0.04   0.09  -0.21     0.62  -0.01   0.13    -0.05  -0.02   0.05
     8   1    -0.18   0.21   0.08    -0.28  -0.20   0.06     0.05  -0.05  -0.02
     9   1     0.00   0.00   0.21     0.12   0.52   0.42    -0.00  -0.01  -0.08
    10   6    -0.08   0.05   0.01     0.00  -0.00  -0.00    -0.08  -0.09  -0.01
    11   6     0.12  -0.00  -0.00    -0.01   0.00   0.00    -0.10   0.12   0.03
    12   6    -0.01  -0.11  -0.02     0.01   0.01   0.00     0.10  -0.02  -0.01
    13   6    -0.11   0.02   0.01    -0.00  -0.01  -0.00    -0.13  -0.09  -0.01
    14   6     0.08   0.04   0.00    -0.01   0.00  -0.00    -0.05   0.10   0.02
    15   1     0.17   0.16   0.03     0.01  -0.00   0.00     0.42   0.10   0.01
    16   1    -0.19   0.25   0.05     0.02  -0.03  -0.01     0.40  -0.25  -0.06
    17   1     0.08   0.52   0.10    -0.00  -0.04  -0.01     0.13  -0.01  -0.01
    18   1     0.29   0.20   0.03     0.00  -0.01  -0.00     0.46   0.14   0.01
    19   1    -0.08   0.18   0.03    -0.01   0.01   0.01     0.40  -0.22  -0.05
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1630.0229              1649.5970              3036.3904
 Red. masses --      5.3991                 5.5652                 1.0354
 Frc consts  --      8.4520                 8.9226                 5.6246
 IR Inten    --      0.7558                 0.8799                12.8307
 RamAct Fr= 1--      9.3135                37.2870               180.0878
  Dep-P Fr= 1--      0.7469                 0.6443                 0.0090
  Dep-U Fr= 1--      0.8551                 0.7837                 0.0178
 Alpha2 Fr= 1--      0.0005                 0.0710                 3.9190
 Beta2  Fr= 1--      1.3273                 4.8702                 0.5333
 AlphaG Fr= 1--      0.0078                 0.0258                -0.3691
 Gamma2 Fr= 1--      0.3724                 0.4192                -1.0014
 Delta2 Fr= 1--      0.0528                 0.3617                -1.7688
 Raman1 Fr= 1--      37.254                149.148                720.351
 ROA1   Fr= 1--      37.440                 51.820               -152.733
 CID1   Fr= 1--       1.005                  0.347                 -0.212
 Raman2 Fr= 1--      15.928                 58.442                  6.400
 ROA2   Fr= 1--       8.515                  7.168                 -9.882
 CID2   Fr= 1--       0.535                  0.123                 -1.544
 Raman3 Fr= 1--      31.856                116.885                 12.799
 ROA3   Fr= 1--      37.440                 51.820               -152.733
 CID3   Fr= 1--       1.175                  0.443                -11.933
 RC180  Fr= 1--       0.710                  0.567                 -0.964
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6     0.02   0.04   0.01     0.03  -0.00  -0.01     0.00  -0.01  -0.00
     3   1    -0.00   0.01  -0.01     0.00  -0.01   0.01     0.00  -0.00  -0.00
     4   1    -0.23  -0.01  -0.00    -0.00  -0.01   0.00    -0.01   0.06   0.03
     5   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.02   0.04  -0.03
     6   6    -0.03  -0.29  -0.06    -0.22   0.02   0.01    -0.00   0.00  -0.00
     7   1    -0.04  -0.01   0.02    -0.00   0.00  -0.01     0.07  -0.57  -0.27
     8   1     0.02  -0.01  -0.00    -0.01   0.01   0.00     0.20  -0.02   0.57
     9   1     0.00  -0.01  -0.03    -0.00  -0.02   0.02    -0.46   0.13  -0.00
    10   6     0.11   0.17   0.03     0.31   0.05   0.00     0.00  -0.00   0.00
    11   6     0.05  -0.21  -0.04    -0.26   0.10   0.03     0.00   0.00   0.00
    12   6     0.05   0.35   0.07     0.14  -0.01  -0.01    -0.00   0.00  -0.00
    13   6    -0.09  -0.19  -0.03    -0.28  -0.04   0.00     0.00   0.00  -0.00
    14   6    -0.08   0.20   0.04     0.28  -0.12  -0.03    -0.00  -0.00  -0.00
    15   1    -0.28   0.01   0.01    -0.35  -0.21  -0.03    -0.00  -0.00  -0.00
    16   1    -0.25  -0.01   0.01     0.20  -0.26  -0.06    -0.00  -0.00  -0.00
    17   1    -0.07  -0.47  -0.09     0.15  -0.03  -0.01     0.00  -0.00  -0.00
    18   1     0.23  -0.08  -0.02     0.28   0.19   0.03     0.00  -0.00  -0.00
    19   1     0.32  -0.09  -0.02    -0.27   0.30   0.07     0.01   0.02   0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3055.5256              3099.9073              3112.5349
 Red. masses --      1.0858                 1.1008                 1.1020
 Frc consts  --      5.9725                 6.2322                 6.2900
 IR Inten    --     13.0059                31.1984                26.8774
 RamAct Fr= 1--     65.4833                35.1080               116.9582
  Dep-P Fr= 1--      0.3489                 0.4723                 0.5450
  Dep-U Fr= 1--      0.5173                 0.6416                 0.7055
 Alpha2 Fr= 1--      0.5769                 0.1962                 0.4598
 Beta2  Fr= 1--      5.6460                 3.7542                13.7523
 AlphaG Fr= 1--     -0.3713                 0.2048                 0.0601
 Gamma2 Fr= 1--      2.5267                 0.8074                -1.2958
 Delta2 Fr= 1--      2.5491                -0.2203                 0.6152
 Raman1 Fr= 1--     261.933                140.432                467.833
 ROA1   Fr= 1--     324.140                 70.463               -104.710
 CID1   Fr= 1--       1.237                  0.502                 -0.224
 Raman2 Fr= 1--      67.752                 45.051                165.028
 ROA2   Fr= 1--      40.249                 21.141                -36.021
 CID2   Fr= 1--       0.594                  0.469                 -0.218
 Raman3 Fr= 1--     135.504                 90.102                330.055
 ROA3   Fr= 1--     324.140                 70.463               -104.710
 CID3   Fr= 1--       2.392                  0.782                 -0.317
 RC180  Fr= 1--       0.035                  0.283                  0.411
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     2   6     0.01  -0.07  -0.03     0.00  -0.02  -0.01    -0.00   0.01   0.00
     3   1     0.01  -0.02  -0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
     4   1    -0.16   0.86   0.40    -0.04   0.21   0.09     0.02  -0.08  -0.04
     5   6    -0.01   0.01   0.02    -0.01  -0.05  -0.07    -0.08   0.04  -0.02
     6   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     7   1     0.02  -0.13  -0.06    -0.07   0.64   0.29     0.01  -0.23  -0.12
     8   1    -0.06   0.01  -0.15     0.22  -0.05   0.62     0.12  -0.01   0.39
     9   1     0.13  -0.03   0.01    -0.08   0.01  -0.02     0.84  -0.21  -0.00
    10   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    11   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1     0.01  -0.02  -0.01     0.01  -0.01  -0.00    -0.00   0.01   0.00
    16   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    17   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    18   1     0.00   0.00  -0.00    -0.00   0.01   0.00     0.00  -0.00  -0.00
    19   1     0.01   0.01   0.00    -0.03  -0.04  -0.01     0.01   0.02   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3163.8781              3167.9597              3177.2192
 Red. masses --      1.0853                 1.0866                 1.0898
 Frc consts  --      6.4010                 6.4253                 6.4820
 IR Inten    --      4.5529                 1.3490                 7.5763
 RamAct Fr= 1--     14.0852               102.2284               112.9655
  Dep-P Fr= 1--      0.4096                 0.7374                 0.5045
  Dep-U Fr= 1--      0.5812                 0.8488                 0.6707
 Alpha2 Fr= 1--      0.1008                 0.0220                 0.5461
 Beta2  Fr= 1--      1.3644                14.4625                12.6275
 AlphaG Fr= 1--     -0.0089                 0.0154                -0.0157
 Gamma2 Fr= 1--      0.9075                -1.8391                -1.9226
 Delta2 Fr= 1--      0.1345                 0.3068                 0.3134
 Raman1 Fr= 1--      56.341                408.914                451.862
 ROA1   Fr= 1--      91.427               -166.733               -174.544
 CID1   Fr= 1--       1.623                 -0.408                 -0.386
 Raman2 Fr= 1--      16.373                173.551                151.530
 ROA2   Fr= 1--      20.704                -46.592                -48.651
 CID2   Fr= 1--       1.265                 -0.268                 -0.321
 Raman3 Fr= 1--      32.746                347.101                303.061
 ROA3   Fr= 1--      91.427               -166.733               -174.544
 CID3   Fr= 1--       2.792                 -0.480                 -0.576
 RC180  Fr= 1--       0.162                  0.698                  0.341
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   1     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     4   1    -0.01   0.01   0.01    -0.00   0.02   0.01     0.00  -0.01  -0.00
     5   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     7   1     0.00  -0.02  -0.01    -0.01   0.04   0.02    -0.00   0.03   0.01
     8   1    -0.00   0.00  -0.01     0.00  -0.00   0.01     0.00  -0.00   0.01
     9   1     0.00  -0.00   0.00    -0.01   0.00  -0.00    -0.00   0.00  -0.00
    10   6     0.02  -0.05  -0.01     0.02  -0.04  -0.01    -0.01   0.04   0.01
    11   6     0.02   0.03   0.01     0.01   0.02   0.00     0.02   0.02   0.00
    12   6    -0.03   0.00   0.00     0.01  -0.00  -0.00    -0.05   0.01   0.00
    13   6     0.01  -0.03  -0.01    -0.01   0.04   0.01     0.01  -0.01  -0.00
    14   6     0.02   0.02   0.00    -0.03  -0.04  -0.01    -0.03  -0.04  -0.01
    15   1    -0.21   0.53   0.11    -0.21   0.52   0.10     0.16  -0.40  -0.08
    16   1    -0.29  -0.37  -0.06    -0.15  -0.20  -0.03    -0.20  -0.24  -0.04
    17   1     0.37  -0.05  -0.02    -0.12   0.02   0.01     0.62  -0.08  -0.03
    18   1    -0.15   0.37   0.08     0.17  -0.44  -0.09    -0.06   0.14   0.03
    19   1    -0.21  -0.28  -0.04     0.36   0.47   0.07     0.32   0.42   0.06
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3185.0587              3195.5923              3788.2078
 Red. masses --      1.0936                 1.0976                 1.0661
 Frc consts  --      6.5362                 6.6037                 9.0140
 IR Inten    --     30.3746                12.7331                17.7516
 RamAct Fr= 1--     21.8599               308.4565                50.6771
  Dep-P Fr= 1--      0.7500                 0.1001                 0.1017
  Dep-U Fr= 1--      0.8571                 0.1820                 0.1846
 Alpha2 Fr= 1--      0.0000                 5.3992                 0.8836
 Beta2  Fr= 1--      3.1228                 9.3561                 1.5590
 AlphaG Fr= 1--     -0.0001                 0.0528                -0.8820
 Gamma2 Fr= 1--      0.2385                 1.5880                 1.5994
 Delta2 Fr= 1--     -1.8308                 0.0636                -1.9207
 Raman1 Fr= 1--      87.440               1233.826                202.708
 ROA1   Fr= 1--     -35.691                154.484                 92.082
 CID1   Fr= 1--      -0.408                  0.125                  0.454
 Raman2 Fr= 1--      37.474                112.273                 18.708
 ROA2   Fr= 1--      20.371                 37.604                 53.752
 CID2   Fr= 1--       0.544                  0.335                  2.873
 Raman3 Fr= 1--      74.948                224.546                 37.415
 ROA3   Fr= 1--     -35.691                154.484                 92.082
 CID3   Fr= 1--      -0.476                  0.688                  2.461
 RC180  Fr= 1--       0.714                 -0.636                 -0.631
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.02  -0.05  -0.04
     2   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.33   0.76   0.56
     4   1    -0.00   0.01   0.00    -0.00   0.00   0.00    -0.00   0.01   0.01
     5   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   1    -0.00   0.02   0.01     0.00  -0.01  -0.00     0.00  -0.00  -0.00
     8   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     9   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   6     0.01  -0.03  -0.01     0.01  -0.01  -0.00     0.00  -0.00   0.00
    11   6    -0.03  -0.04  -0.01    -0.03  -0.04  -0.01    -0.00  -0.00  -0.00
    12   6    -0.00   0.00   0.00    -0.06   0.01   0.00     0.00   0.00   0.00
    13   6     0.02  -0.05  -0.01    -0.01   0.04   0.01    -0.00   0.00  -0.00
    14   6    -0.02  -0.03  -0.00     0.01   0.01   0.00     0.00   0.00   0.00
    15   1    -0.12   0.29   0.06    -0.07   0.17   0.03    -0.00   0.00   0.00
    16   1     0.37   0.46   0.08     0.30   0.38   0.07     0.00   0.00  -0.00
    17   1     0.02  -0.01  -0.00     0.66  -0.09  -0.04    -0.00  -0.00   0.00
    18   1    -0.22   0.54   0.11     0.17  -0.43  -0.09     0.00  -0.00   0.00
    19   1     0.26   0.33   0.05    -0.13  -0.16  -0.03    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  8 and mass  15.99491
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  1 and mass   1.00783
 Atom     4 has atomic number  1 and mass   1.00783
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   122.07317 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   520.446801638.930051841.94092
           X            0.99974   0.01587  -0.01664
           Y           -0.01532   0.99935   0.03253
           Z            0.01714  -0.03227   0.99933
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16642     0.05285     0.04702
 Rotational constants (GHZ):           3.46768     1.10117     0.97980
 Zero-point vibrational energy     421859.0 (Joules/Mol)
                                  100.82673 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     23.78   180.34   285.20   341.41   366.91
          (Kelvin)            470.17   484.03   594.94   708.78   781.44
                              873.56   918.81  1023.96  1104.16  1135.88
                             1231.31  1301.50  1337.19  1383.09  1405.84
                             1461.34  1479.04  1516.96  1550.47  1568.72
                             1613.39  1706.20  1738.95  1769.65  1805.45
                             1915.59  1951.99  1997.06  2028.53  2032.08
                             2142.55  2148.39  2154.12  2209.19  2345.24
                             2373.40  4368.69  4396.22  4460.08  4478.24
                             4552.11  4557.99  4571.31  4582.59  4597.74
                             5450.39
 
 Zero-point correction=                           0.160678 (Hartree/Particle)
 Thermal correction to Energy=                    0.169260
 Thermal correction to Enthalpy=                  0.170204
 Thermal correction to Gibbs Free Energy=         0.126271
 Sum of electronic and zero-point Energies=           -386.114886
 Sum of electronic and thermal Energies=              -386.106303
 Sum of electronic and thermal Enthalpies=            -386.105359
 Sum of electronic and thermal Free Energies=         -386.149292
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  106.212             32.443             92.464
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.313
 Rotational               0.889              2.981             28.842
 Vibrational            104.435             26.482             23.309
 Vibration     1          0.593              1.986              7.013
 Vibration     2          0.610              1.928              3.016
 Vibration     3          0.637              1.842              2.150
 Vibration     4          0.656              1.784              1.823
 Vibration     5          0.665              1.754              1.696
 Vibration     6          0.710              1.622              1.276
 Vibration     7          0.717              1.603              1.229
 Vibration     8          0.777              1.441              0.914
 Vibration     9          0.848              1.266              0.677
 Vibration    10          0.898              1.155              0.559
 Vibration    11          0.966              1.017              0.438
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.830275D-58        -58.080778       -133.735934
 Total V=0       0.669472D+16         15.825732         36.440096
 Vib (Bot)       0.349049D-71        -71.457114       -164.536086
 Vib (Bot)    1  0.125332D+02          1.098063          2.528384
 Vib (Bot)    2  0.162837D+01          0.211753          0.487579
 Vib (Bot)    3  0.100659D+01          0.002854          0.006571
 Vib (Bot)    4  0.827331D+00         -0.082321         -0.189551
 Vib (Bot)    5  0.763495D+00         -0.117194         -0.269849
 Vib (Bot)    6  0.572897D+00         -0.241923         -0.557049
 Vib (Bot)    7  0.553192D+00         -0.257124         -0.592050
 Vib (Bot)    8  0.426736D+00         -0.369841         -0.851590
 Vib (Bot)    9  0.335805D+00         -0.473913         -1.091225
 Vib (Bot)   10  0.290845D+00         -0.536339         -1.234965
 Vib (Bot)   11  0.244120D+00         -0.612396         -1.410095
 Vib (V=0)       0.281447D+03          2.449396          5.639944
 Vib (V=0)    1  0.130432D+02          1.115384          2.568267
 Vib (V=0)    2  0.220340D+01          0.343094          0.790004
 Vib (V=0)    3  0.162393D+01          0.210569          0.484852
 Vib (V=0)    4  0.146668D+01          0.166336          0.383003
 Vib (V=0)    5  0.141265D+01          0.150034          0.345465
 Vib (V=0)    6  0.126040D+01          0.100509          0.231431
 Vib (V=0)    7  0.124567D+01          0.095403          0.219672
 Vib (V=0)    8  0.115735D+01          0.063463          0.146129
 Vib (V=0)    9  0.110230D+01          0.042300          0.097399
 Vib (V=0)   10  0.107844D+01          0.032795          0.075514
 Vib (V=0)   11  0.105641D+01          0.023833          0.054879
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.530132D+08          7.724384         17.786052
 Rotational      0.448696D+06          5.651952         13.014100
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3                33333 3333                                             11 1111111111111111111                                  
     7                11111 1100                                             66 54444433322211000009999 8 77 7 66 5 4  4 33 221 1    
     8                98766 1053                                             53 39981185353082975217620 5 86 1 30 4 9  1 32 539 2   1
     8                65784 3066                                             00 57392087150961084867195 6 97 2 97 3 3  4 67 578 5   7
 
     X                XXXXX XXXX                                             XX XXXXXXXXXXXXXXXXXXXX XX   XX X XX X X    XX XXX X   X
     X                XXX   XXXX                                                  X XX  XXX   XXXXX  XX   XX X  X X       X  XX      
     X                XX    XXXX                                                  X XX  X X   XX  X   X    X X  X            XX      
     X                 X    XX                                                      X     X   XX  X   X    X X               XX      
                       X    XX                                                      X         XX  X        X X                X      
                       X    XX                                                      X         XX  X          X                X      
                       X     X                                                      X         X   X          X                X      
                                                                                    X         X              X                X      
                                                                                    X         X              X                X      
                                                                                    X         X              X                X      
                                                                                    X         X              X                X      
                                                                                              X                               X      
                                                                                                                              X      
                                                                                                                              X      
                                                                                                                              X      
                                                                                                                              X      
                                                                                                                              X      
                                                                                                                              X      
                                                                                                                              X      
                                                                                                                              X      
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8          -0.000010607   -0.000003894   -0.000015466
      2        6           0.000011988   -0.000016401    0.000013738
      3        1           0.000000549    0.000004842    0.000004648
      4        1          -0.000001379    0.000001073   -0.000000397
      5        6           0.000001738    0.000014714   -0.000000918
      6        6          -0.000006534    0.000004770   -0.000007101
      7        1           0.000003652   -0.000003528   -0.000005103
      8        1          -0.000000167   -0.000002216   -0.000000850
      9        1          -0.000002074   -0.000002505    0.000001630
     10        6          -0.000001392    0.000007623    0.000006984
     11        6           0.000005481    0.000001035    0.000001684
     12        6           0.000002310    0.000001010    0.000000265
     13        6          -0.000000749   -0.000002178    0.000001306
     14        6           0.000001024   -0.000005008    0.000003343
     15        1           0.000001047    0.000000213   -0.000003368
     16        1          -0.000001346    0.000001802    0.000000536
     17        1           0.000000037   -0.000001694   -0.000000039
     18        1           0.000002046   -0.000000144   -0.000000166
     19        1          -0.000005624    0.000000486   -0.000000726
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000016401 RMS     0.000005420
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.129504D+03  0.983548D+00 -0.149236D+01
      2   0.983548D+00  0.104661D+03  0.551542D+01
      3  -0.149236D+01  0.551542D+01  0.746232D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.339239D+00 -0.829768D+01 -0.244817D+01
      2   0.118934D+02 -0.101821D+02  0.544871D+01
      3   0.158444D+01  0.419304D+02  0.965433D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.942856D+02 -0.401320D+01  0.783049D+01
      2   0.334750D+02  0.107189D+02  0.729132D+01
      3   0.608106D+02 -0.670573D+01 -0.151218D+02
      4   0.159640D+02 -0.833593D+02 -0.258166D+02
      5  -0.179376D+02 -0.264158D+02  0.191270D+02
      6  -0.106270D+02 -0.153895D+02  0.101256D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.529493D+01 -0.998374D+00  0.236720D+01 -0.244843D+01  0.198131D+01
      2  -0.998374D+00  0.748796D+00 -0.425229D+00  0.198131D+01 -0.299504D+01
      3   0.236720D+01 -0.425229D+00  0.268933D+01 -0.117573D+01 -0.589062D-02
                 6             7             8             9            10 
      1  -0.117573D+01  0.542879D+01 -0.102474D+01  0.393617D+01 -0.341956D+01
      2  -0.589062D-02 -0.102474D+01 -0.128297D+01 -0.310089D+01 -0.735593D-01
      3  -0.329227D+01  0.393617D+01 -0.310089D+01  0.293726D+01 -0.622620D+00
                11            12            13            14            15 
      1  -0.735593D-01 -0.622620D+00 -0.101652D+01 -0.239975D+01  0.197334D+01
      2  -0.720321D+00  0.158971D+01 -0.239975D+01  0.368231D+01  0.315969D+01
      3   0.158971D+01 -0.247894D+01  0.197334D+01  0.315969D+01  0.814721D-01
                16            17            18            19            20 
      1  -0.381854D+01  0.208181D+01 -0.526228D+01 -0.544292D+00  0.417653D+00
      2   0.208181D+01  0.356537D+01  0.167661D+01  0.417653D+00 -0.412892D+00
      3  -0.526228D+01  0.167661D+01 -0.181070D+01  0.102909D+00 -0.398935D+00
                21            22            23            24            25 
      1   0.102909D+00  0.198450D+01 -0.795594D-01  0.327845D+00  0.159729D+01
      2  -0.398935D+00 -0.795594D-01  0.213015D+01  0.176197D+01 -0.182938D+00
      3  -0.119629D+01  0.327845D+00  0.176197D+01  0.301334D+01  0.363760D+00
                26            27            28            29            30 
      1  -0.182938D+00  0.363760D+00  0.335272D+00 -0.116780D+01 -0.683703D+00
      2   0.182474D+01  0.126483D+01 -0.116780D+01  0.117450D+01  0.179972D+00
      3   0.126483D+01  0.409387D+01 -0.683703D+00  0.179972D+00  0.743634D+00
                31            32            33            34            35 
      1  -0.250181D+01  0.190721D+01  0.367414D+00 -0.971611D+00  0.396431D+00
      2   0.190721D+01 -0.595730D+01 -0.181326D+01  0.396431D+00 -0.221666D+01
      3   0.367414D+00 -0.181326D+01 -0.175218D+01  0.110526D+01 -0.162445D+01
                36            37            38            39            40 
      1   0.110526D+01 -0.843437D+01  0.217049D+01  0.557088D-01  0.474142D+01
      2  -0.162445D+01  0.217049D+01  0.132809D+01 -0.122028D+01  0.144359D+01
      3  -0.142620D+01  0.557088D-01 -0.122028D+01  0.314806D+01 -0.160962D+01
                41            42            43            44            45 
      1   0.144359D+01 -0.160962D+01 -0.140265D+01 -0.157247D+01  0.273612D+01
      2  -0.322552D+01 -0.305014D+01 -0.157247D+01 -0.299874D+01 -0.634039D+00
      3  -0.305014D+01 -0.296113D-01  0.273612D+01 -0.634039D+00  0.471247D+01
                46            47            48            49            50 
      1   0.166761D+02 -0.182315D+01  0.927432D+00 -0.298937D+01 -0.151440D+01
      2  -0.182315D+01  0.268102D+01  0.126411D-01 -0.151440D+01 -0.560495D+00
      3   0.927432D+00  0.126411D-01  0.226764D+01 -0.164294D+01 -0.382443D+00
                51            52            53            54            55 
      1  -0.164294D+01 -0.917281D+00 -0.108114D+01  0.386762D+01  0.110927D+01
      2  -0.382443D+00 -0.108114D+01 -0.216630D+00 -0.473314D+00  0.389385D+00
      3  -0.911785D-01  0.386762D+01 -0.473314D+00 -0.337751D+00  0.222517D+00
                56            57            58            59            60 
      1   0.389385D+00  0.222517D+00  0.174754D+01  0.871422D+00 -0.536203D-01
      2  -0.935726D-01  0.259710D+00  0.871422D+00  0.611858D+01  0.104569D+01
      3   0.259710D+00 -0.292345D+00 -0.536203D-01  0.104569D+01  0.168031D+01
                61            62            63            64            65 
      1   0.111241D+01  0.618406D+00 -0.989257D-01  0.751929D-01 -0.107275D+00
      2   0.618406D+00  0.212278D+01  0.115441D+01 -0.107275D+00 -0.505300D+00
      3  -0.989257D-01  0.115441D+01  0.569803D+00 -0.877172D+00  0.374950D+00
                66            67            68            69            70 
      1  -0.877172D+00 -0.416892D+00 -0.517390D-01  0.137505D+00 -0.176855D+01
      2   0.374950D+00 -0.517390D-01  0.695778D+00 -0.844214D+00 -0.183078D+00
      3  -0.199687D+01  0.137505D+00 -0.844214D+00  0.559662D+00  0.621091D-01
                71            72            73            74            75 
      1  -0.183078D+00  0.621091D-01  0.129856D+02 -0.462385D+00 -0.152351D+01
      2  -0.123141D+01  0.123561D+01 -0.462385D+00  0.111058D+01 -0.332129D-01
      3   0.123561D+01 -0.861442D+01 -0.152351D+01 -0.332129D-01  0.126147D+01
                76            77            78            79            80 
      1  -0.249633D+01  0.101144D+01  0.509782D+00 -0.311239D-01  0.160210D+00
      2   0.101144D+01 -0.286691D+00  0.166215D+00  0.160210D+00  0.329958D+00
      3   0.509782D+00  0.166215D+00 -0.513802D+00  0.103093D+01  0.195361D-01
                81            82            83            84            85 
      1   0.103093D+01 -0.500114D+01  0.278414D+01  0.123514D+00 -0.643201D+01
      2   0.195361D-01  0.278414D+01  0.293791D+01  0.282067D+00  0.358258D+00
      3  -0.728138D+00  0.123514D+00  0.282067D+00  0.140955D+01 -0.273292D+00
                86            87            88            89            90 
      1   0.358258D+00 -0.273292D+00 -0.119804D+01 -0.524194D+00  0.103874D+01
      2  -0.194871D+01  0.737566D+00 -0.524194D+00  0.101023D+01 -0.372418D+01
      3   0.737566D+00 -0.195167D+01  0.103874D+01 -0.372418D+01 -0.232286D+01
                91            92            93            94            95 
      1   0.219377D+01 -0.817540D+00  0.650377D-01 -0.606479D+01  0.651972D+00
      2  -0.817540D+00 -0.367402D+01 -0.764601D+00  0.651972D+00 -0.745522D+00
      3   0.650377D-01 -0.764601D+00 -0.192567D+01  0.580368D+00  0.120806D+01
                96            97            98            99           100 
      1   0.580368D+00 -0.131935D+01  0.598331D+00 -0.306662D+01 -0.628036D+01
      2   0.120806D+01  0.598331D+00  0.143810D+01 -0.334403D+01  0.241546D+00
      3  -0.202078D+01 -0.306662D+01 -0.334403D+01 -0.160663D+01 -0.218703D+00
               101           102           103           104           105 
      1   0.241546D+00 -0.218703D+00  0.842077D+00  0.821512D+00  0.147906D+01
      2  -0.354246D+01 -0.539437D-01  0.821512D+00 -0.257902D+00 -0.578792D+00
      3  -0.539437D-01 -0.326195D+01  0.147906D+01 -0.578792D+00  0.215107D+00
               106           107           108           109           110 
      1   0.767904D-01  0.127729D+01 -0.543793D+01  0.425283D+01 -0.678487D+00
      2   0.127729D+01 -0.169430D+00  0.484289D+00 -0.678487D+00 -0.248773D+01
      3  -0.543793D+01  0.484289D+00  0.600195D+00 -0.179573D+00  0.241706D-01
               111           112           113           114           115 
      1  -0.179573D+00  0.546597D+01 -0.466012D+00  0.257115D+00  0.118049D+01
      2   0.241706D-01 -0.466012D+00  0.182210D+01 -0.912976D+00  0.431220D+00
      3  -0.102520D+01  0.257115D+00 -0.912976D+00  0.239408D+01 -0.185116D+01
               116           117           118           119           120 
      1   0.431220D+00 -0.185116D+01 -0.424565D+01 -0.517856D+00 -0.560124D-01
      2  -0.110779D+01  0.394871D+01 -0.517856D+00  0.397378D+01  0.543203D+00
      3   0.394871D+01  0.247215D+01 -0.560124D-01  0.543203D+00  0.203853D+01
               121           122           123           124           125 
      1   0.847842D+01  0.270169D+00  0.210100D+00  0.190390D+01  0.148227D-01
      2   0.270169D+00  0.130998D+01 -0.579934D+00  0.148227D-01 -0.113197D+01
      3   0.210100D+00 -0.579934D+00  0.159169D+01  0.193183D+01  0.316356D+01
               126           127           128           129           130 
      1   0.193183D+01  0.151100D+01 -0.177852D+01 -0.382226D+00 -0.150835D+01
      2   0.316356D+01 -0.177852D+01  0.225185D+01  0.448781D+00  0.202515D+01
      3   0.146111D+01 -0.382226D+00  0.448781D+00  0.271976D+00  0.435903D+00
               131           132           133           134           135 
      1   0.202515D+01  0.435903D+00 -0.393097D+00  0.486688D+00 -0.101331D-02
      2  -0.854079D+01 -0.150055D+01  0.486688D+00 -0.158706D+01 -0.351624D+00
      3  -0.150055D+01 -0.109713D+01 -0.101331D-02 -0.351624D+00 -0.180384D+00
               136           137           138           139           140 
      1  -0.486330D+01 -0.378777D+01 -0.631575D+00 -0.369333D+01 -0.437893D+01
      2  -0.378777D+01 -0.349744D+01 -0.483924D+00 -0.437893D+01 -0.645954D+01
      3  -0.631575D+00 -0.483924D+00 -0.601915D+00 -0.775125D+00 -0.100772D+01
               141           142           143           144           145 
      1  -0.775125D+00 -0.588829D+00 -0.717267D+00 -0.114284D+00 -0.128119D+02
      2  -0.100772D+01 -0.717267D+00 -0.118855D+01 -0.135569D+00  0.131579D+01
      3  -0.861998D+00 -0.114284D+00 -0.135569D+00 -0.140379D+00  0.588870D+00
               146           147           148           149           150 
      1   0.131579D+01  0.588870D+00  0.137056D+01 -0.164314D+01 -0.380511D+00
      2  -0.871700D+00 -0.396610D-01 -0.164314D+01  0.471498D+00  0.101573D+00
      3  -0.396610D-01 -0.858354D+00 -0.380511D+00  0.101573D+00  0.141123D+00
               151           152           153           154           155 
      1   0.545087D+00 -0.390537D+00  0.624474D-01 -0.217474D+01  0.252290D+01
      2  -0.390537D+00  0.101646D+00  0.165709D-01  0.252290D+01 -0.275761D+01
      3   0.624474D-01  0.165709D-01  0.805765D-01  0.548219D+00 -0.532995D+00
               156           157           158           159           160 
      1   0.548219D+00  0.222437D+01 -0.366219D+01 -0.758506D+00  0.490583D+00
      2  -0.532995D+00 -0.366219D+01  0.914222D+01  0.172283D+01 -0.762430D+00
      3  -0.436445D+00 -0.758506D+00  0.172283D+01  0.113511D+01 -0.140620D+00
               161           162           163           164           165 
      1  -0.762430D+00 -0.140620D+00  0.334125D+01  0.237081D+01  0.173681D+00
      2   0.181741D+01  0.288078D+00  0.237081D+01  0.235652D+01  0.237577D+00
      3   0.288078D+00  0.181378D+00  0.173681D+00  0.237577D+00  0.243785D+00
               166           167           168           169           170 
      1   0.271299D+01  0.285369D+01  0.390908D+00  0.737178D-01  0.373582D+00
      2   0.285369D+01  0.560492D+01  0.772322D+00  0.373582D+00  0.920981D+00
      3   0.390908D+00  0.772322D+00  0.798717D+00 -0.162153D+00  0.135875D+00
               171 
      1  -0.162153D+00
      2   0.135875D+00
      3   0.586516D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.503451D+00  0.397214D+01  0.149630D+01  0.731719D+00 -0.571502D+01
      2   0.146837D+01  0.630824D+00  0.126363D+02  0.282904D+01 -0.241370D+01
      3  -0.894352D+00 -0.841825D+01 -0.158039D+01 -0.392868D+01  0.645486D+01
                 6             7             8             9            10 
      1  -0.768436D+01  0.266927D+01  0.333095D+00 -0.112259D-01  0.341224D-02
      2  -0.779766D+01  0.600849D+01 -0.791679D+01  0.516254D+01 -0.375281D+00
      3   0.187165D+01 -0.344743D+01  0.255355D+01  0.551944D+01  0.450610D+01
                11            12            13            14            15 
      1   0.556121D+00  0.433159D-01  0.109067D+01  0.123476D+01 -0.333294D+01
      2   0.124898D+01 -0.424956D+01  0.136008D+01  0.577986D+01  0.105448D+01
      3   0.350778D+01 -0.647029D+00  0.126396D+02 -0.700653D+01 -0.806249D+01
                16            17            18            19            20 
      1  -0.198460D+01  0.541079D+00 -0.146217D+01  0.208743D+01 -0.201879D+01
      2  -0.149862D+02  0.489022D+01 -0.523510D+01  0.402849D+01 -0.198842D+01
      3   0.365531D-02 -0.974018D+01 -0.138605D+01 -0.247676D+01  0.218698D+01
                21            22            23            24            25 
      1  -0.894959D+00 -0.143510D+01  0.592769D+01  0.360105D+01 -0.426570D+00
      2  -0.302297D+01 -0.309736D+01  0.497927D+01  0.733200D+01 -0.173225D+01
      3   0.100944D+01  0.343082D+01 -0.489881D+01 -0.463486D+01  0.241148D+00
                26            27            28            29            30 
      1   0.454160D+01  0.449840D+01  0.426895D-01 -0.580335D+00  0.713534D+00
      2   0.357427D+01  0.888956D+01 -0.158397D+01  0.268533D+00  0.206775D+01
      3  -0.337486D+01 -0.391717D+01  0.320968D+01 -0.305828D+01 -0.157451D+00
                31            32            33            34            35 
      1  -0.820544D-01  0.135047D+01 -0.274584D+01  0.765744D+00  0.121897D+01
      2  -0.499446D+00 -0.329867D+01 -0.377758D+01  0.154525D+00 -0.291661D+01
      3   0.140864D+01  0.118586D+02  0.376325D+01  0.814681D+00  0.494229D+01
                36            37            38            39            40 
      1  -0.772830D+00 -0.275133D+01 -0.177578D+01 -0.131788D+01  0.215514D-01
      2  -0.220571D+01 -0.723431D+01 -0.818743D+00  0.111228D+02 -0.311731D+00
      3   0.278430D+01 -0.148916D+02 -0.653751D+01  0.402882D+01 -0.674158D+00
                41            42            43            44            45 
      1   0.579785D+01  0.191552D+01  0.781858D+00  0.631560D+01 -0.487483D+01
      2  -0.675129D+01 -0.244895D+01  0.304151D+01 -0.372196D+01  0.170031D+02
      3   0.121919D+02  0.860559D+01  0.360036D+01  0.877848D+01  0.341350D+01
                46            47            48            49            50 
      1   0.595548D+00  0.215525D+00  0.413462D+00  0.840352D+00 -0.222976D+01
      2   0.226226D+01 -0.143841D+01 -0.651971D+00 -0.953261D+00 -0.863338D+00
      3  -0.156461D+01  0.498188D+01  0.947503D+00  0.160915D+02 -0.150144D+01
                51            52            53            54            55 
      1   0.160263D+01  0.975929D+00  0.105051D+02  0.205321D+01 -0.682397D+00
      2   0.151218D+00 -0.156988D+02 -0.315145D+00 -0.862652D+00  0.102849D+01
      3   0.226445D+01  0.103565D+00  0.756759D+00 -0.743710D+00 -0.143029D+01
                56            57            58            59            60 
      1  -0.542776D-01  0.147065D+00 -0.102563D+00 -0.773833D+01 -0.532350D+01
      2   0.819580D+00 -0.213832D+00  0.590544D+00  0.374063D+01  0.455195D+01
      3   0.724271D+00 -0.323420D+00  0.285296D+01 -0.177622D+02 -0.414876D+01
                61            62            63            64            65 
      1  -0.314962D+00 -0.191811D+01 -0.226791D+01  0.779384D+00  0.120585D+01
      2  -0.985494D+00  0.309708D+01  0.156467D+01 -0.364520D+01  0.542985D+00
      3   0.694763D+00 -0.644227D+01 -0.372502D+01  0.416684D-01  0.866658D+00
                66            67            68            69            70 
      1   0.125604D+01  0.475510D+00 -0.448894D+00 -0.660953D+00  0.670655D+00
      2  -0.540319D+01 -0.509675D-01 -0.198195D+01  0.177081D+01 -0.497452D+01
      3  -0.143036D+01  0.146711D+01 -0.182711D+01  0.194954D+01 -0.139092D+01
                71            72            73            74            75 
      1   0.294689D+01  0.508162D+01  0.145009D+01 -0.170294D+01 -0.640869D+00
      2   0.291634D+01 -0.220280D+02  0.776722D+01 -0.608492D+00  0.522009D+01
      3   0.281223D+01 -0.395830D+01  0.931401D+01 -0.713352D+01 -0.789356D+00
                76            77            78            79            80 
      1  -0.114799D+01  0.149413D+00 -0.779983D+00 -0.614052D+00  0.230152D+00
      2  -0.712146D+00  0.143791D+01 -0.130895D+01  0.121084D+01  0.126466D+00
      3  -0.311043D+01  0.113160D+01 -0.744256D+00 -0.764574D+00 -0.790757D+00
                81            82            83            84            85 
      1   0.177092D+00 -0.817855D+00 -0.986150D+00  0.209985D+01 -0.119335D+01
      2  -0.134188D+01 -0.286267D+01  0.152948D+01 -0.145610D+01  0.122502D+01
      3   0.310966D+00  0.517525D+01 -0.403976D+01 -0.157625D+01  0.414555D+01
                86            87            88            89            90 
      1   0.428151D+00 -0.305206D+01  0.425496D+01  0.640084D+00 -0.660922D+00
      2   0.105627D+01  0.160045D+01 -0.127962D+02  0.169558D+01  0.208197D+01
      3  -0.608176D+01 -0.769983D+00 -0.156981D+01 -0.126693D-01 -0.507245D+01
                91            92            93            94            95 
      1   0.505502D-02  0.484656D+00 -0.277285D+01  0.116320D+01  0.158709D-01
      2   0.107958D+01  0.135063D+01  0.254758D+01 -0.106235D+01 -0.288888D+01
      3  -0.345342D+01 -0.102942D+02 -0.169167D+01  0.615297D+01 -0.147058D+01
                96            97            98            99           100 
      1  -0.229771D+01 -0.671938D+01  0.385605D+01  0.793512D+00  0.137647D+00
      2   0.634290D+01 -0.336687D+01  0.980199D+01  0.431219D+01 -0.898394D+00
      3   0.214128D+01  0.765100D+00  0.282004D+01 -0.420904D+01  0.255297D+01
               101           102           103           104           105 
      1   0.148783D+00  0.119431D+01  0.123961D-01 -0.317833D+01  0.269632D+01
      2  -0.519239D+00  0.859053D+01 -0.431933D+01 -0.165421D+00 -0.145034D+01
      3  -0.706092D+01  0.353695D+00  0.120762D+02  0.184562D+01 -0.539431D+00
               106           107           108           109           110 
      1   0.226548D+01  0.110324D+02  0.276978D+01  0.568863D+00 -0.219665D+00
      2   0.774019D+01 -0.218428D+01 -0.175854D+01  0.177756D+01  0.284984D+01
      3   0.382357D+01 -0.536181D+00  0.770259D+00 -0.319837D+01 -0.135184D+02
               111           112           113           114           115 
      1   0.220378D+01 -0.101678D+01  0.539153D+00 -0.386345D+01  0.496762D+01
      2   0.521889D+00  0.131454D+01  0.297407D+01 -0.575290D+01 -0.806270D+01
      3  -0.259525D+01  0.371429D+01  0.131448D+01 -0.205883D+01 -0.295818D+00
               116           117           118           119           120 
      1   0.748722D+00 -0.116234D+01 -0.145805D+01  0.339858D-01 -0.354186D+01
      2  -0.926602D+01 -0.402311D+01 -0.171622D+01  0.223143D+00 -0.190193D+01
      3  -0.238151D+01  0.479474D+01 -0.789342D+00  0.720113D+00  0.961583D+00
               121           122           123           124           125 
      1   0.818272D+00 -0.494251D+00 -0.203263D+01 -0.685348D+01  0.295474D+01
      2   0.333318D+01 -0.870694D+00 -0.748955D+00 -0.122076D+02 -0.295564D+00
      3   0.177507D+01  0.568758D+01 -0.306222D+00 -0.157521D+01  0.224312D+00
               126           127           128           129           130 
      1  -0.184399D+00  0.235874D-01 -0.234383D+00  0.142014D+01  0.100021D-01
      2  -0.612786D+00  0.124664D+01 -0.913292D+00  0.262270D+00 -0.119092D+01
      3   0.563884D+01 -0.582019D+01  0.365748D+01  0.981106D+00  0.685623D+01
               131           132           133           134           135 
      1   0.735261D+00 -0.410133D+01 -0.438738D+00  0.221107D+01 -0.291848D+00
      2   0.184027D+01 -0.291466D+00 -0.173470D+01  0.418586D+00 -0.153749D+00
      3  -0.851155D+01 -0.191575D+01  0.126992D+01 -0.152417D+01 -0.209350D+00
               136           137           138           139           140 
      1   0.178937D+00  0.535460D+00 -0.219885D+01 -0.103549D+00  0.414884D+00
      2  -0.576459D-01  0.107060D+00  0.283352D+01  0.705615D+00  0.136863D+01
      3  -0.140830D+01 -0.483932D+01 -0.283131D+00 -0.332709D+01 -0.107903D+02
               141           142           143           144           145 
      1  -0.323197D+01  0.884297D+00  0.168548D+01 -0.348671D+00 -0.105990D+00
      2   0.332895D+01 -0.103516D+01 -0.550225D+00  0.371216D+00 -0.855172D+00
      3  -0.134394D+01 -0.731061D+00 -0.207771D+01 -0.115722D+00  0.513610D+00
               146           147           148           149           150 
      1  -0.206262D+00  0.641736D+00  0.606772D-01 -0.846171D-02 -0.478717D+00
      2  -0.388172D-01  0.602714D+01  0.141644D+01 -0.292830D+00 -0.868566D+00
      3  -0.536570D+01  0.123135D+00 -0.364987D+01  0.148557D+01  0.245164D+00
               151           152           153           154           155 
      1  -0.411825D+00  0.533529D+00 -0.466835D-02 -0.169095D+00 -0.129858D+00
      2  -0.291765D+01  0.189517D+00 -0.286916D+00 -0.287345D+00  0.419226D+00
      3  -0.148554D+01  0.520003D+00 -0.481900D-01  0.678596D+00 -0.255426D+01
               156           157           158           159           160 
      1   0.159675D+01  0.258837D+00  0.281707D+00 -0.436573D+01 -0.610774D+00
      2   0.152471D+01  0.465688D+00 -0.243873D+01 -0.303553D+01 -0.645159D+00
      3  -0.278038D+00 -0.108240D+01  0.132906D+02  0.222532D+01 -0.266819D+00
               161           162           163           164           165 
      1   0.202186D+01 -0.497589D+00  0.615523D+00  0.755915D+00 -0.185902D+01
      2   0.178139D+00 -0.477193D+00 -0.188960D+01 -0.905905D+00  0.857823D+00
      3   0.271962D+01  0.398116D+00  0.944451D+01  0.383723D+01  0.191285D+00
               166           167           168           169           170 
      1   0.345402D+00  0.178859D+00 -0.317727D+01  0.629395D+00  0.193954D+01
      2  -0.104265D+01 -0.121142D+01  0.134813D+01 -0.176416D+01 -0.212422D+00
      3   0.791371D+01  0.508030D+01  0.711191D+00  0.210418D+00  0.753020D+00
               171 
      1  -0.784177D-01
      2   0.347469D+00
      3  -0.245168D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.208448D+02 -0.303210D+01  0.193288D+01 -0.368438D+01  0.467382D+01
      2  -0.143996D+02 -0.260548D+00 -0.724313D+01  0.102603D+01  0.422749D+01
      3  -0.644527D+01  0.329265D+01  0.531026D+01  0.265835D+01 -0.890131D+01
      4  -0.539678D+01  0.141789D+02 -0.273413D+01  0.161239D+02 -0.153047D+02
      5   0.157160D+02 -0.331140D+01  0.225027D+02 -0.805706D+01  0.272605D+01
      6  -0.459888D+01  0.532160D+01 -0.127940D+01  0.480196D+01 -0.103290D+02
                 6             7             8             9            10 
      1   0.790095D+01  0.363636D+01  0.526730D+01  0.621818D+00  0.583420D+01
      2   0.421309D+01 -0.128666D+02  0.350486D+01 -0.118829D+02 -0.229732D+01
      3  -0.121140D+02  0.923023D+01 -0.877216D+01  0.112611D+02 -0.353688D+01
      4   0.719303D+00 -0.587535D+01 -0.232798D+01 -0.145505D+02 -0.330395D+01
      5  -0.132315D+02  0.301355D+02 -0.124090D+02  0.217313D+02 -0.506722D+01
      6   0.306270D+01 -0.458964D+01  0.686507D+01 -0.130836D+02  0.416281D+01
                11            12            13            14            15 
      1  -0.323308D+01  0.111111D+01 -0.108725D+02  0.199458D+00  0.594799D+01
      2   0.139613D+01  0.127426D+01  0.819948D+01 -0.571831D+01 -0.104523D+02
      3   0.183695D+01 -0.238538D+01  0.267299D+01  0.551885D+01  0.450431D+01
      4  -0.137591D+02  0.670570D+01 -0.143580D+02  0.170038D+02  0.156115D+02
      5   0.693050D+01 -0.181990D+02  0.138593D+02  0.150690D+02 -0.454503D+00
      6   0.218460D+01  0.229535D+00  0.614811D+01 -0.504979D+01 -0.561309D+01
                16            17            18            19            20 
      1  -0.142030D+01  0.538652D+01 -0.635384D+01 -0.115570D+01  0.216280D+01
      2   0.894490D+01 -0.549706D+01  0.769203D+01  0.146112D+00  0.255951D+00
      3  -0.752459D+01  0.110547D+00 -0.133819D+01  0.100959D+01 -0.241875D+01
      4   0.132452D+02  0.162992D+02  0.657958D+01  0.165306D+01 -0.319412D+01
      5  -0.350745D+02  0.568670D+01 -0.969180D+01  0.707597D+00 -0.438481D+00
      6   0.350569D+01 -0.109299D+02  0.562979D+01  0.152529D+01 -0.199756D+01
                21            22            23            24            25 
      1   0.558364D+01  0.473991D+01 -0.622314D+01 -0.621246D+01  0.453805D+01
      2   0.676062D+00 -0.277469D+01 -0.426158D+00 -0.381181D+01 -0.246547D+01
      3  -0.625970D+01 -0.196522D+01  0.664930D+01  0.100243D+02 -0.207258D+01
      4  -0.168407D+01 -0.234228D+00  0.903547D+01  0.740156D+01 -0.128534D+01
      5  -0.285957D+01  0.346612D+01  0.561728D+01  0.106446D+02  0.480018D+01
      6  -0.114825D+01 -0.564556D+00  0.709186D+01  0.776015D+01 -0.820023D+00
                26            27            28            29            30 
      1  -0.382473D+01 -0.896342D+01  0.279294D+01 -0.316583D+01 -0.168878D+01
      2  -0.274385D+01 -0.629457D+01  0.137643D+01  0.342089D+00  0.457314D+00
      3   0.656858D+01  0.152580D+02 -0.416937D+01  0.282374D+01  0.123146D+01
      4   0.663880D+01  0.551186D+01 -0.742431D+01  0.108532D+02  0.207335D+01
      5   0.417765D+01  0.127654D+02 -0.350544D+01  0.197098D+01  0.579856D+01
      6   0.611424D+01  0.457530D+01  0.269346D+01 -0.186044D+01 -0.722164D+00
                31            32            33            34            35 
      1  -0.240068D+01 -0.958644D+01 -0.309844D+01 -0.147362D+01 -0.401409D+01
      2  -0.191708D+01  0.187195D+02  0.497909D+01  0.224154D-01  0.350913D+01
      3   0.431776D+01 -0.913305D+01 -0.188065D+01  0.145120D+01  0.504956D+00
      4   0.128020D+02 -0.267687D+02 -0.826098D+01  0.296319D+01 -0.100861D+02
      5   0.285708D+01 -0.741012D+01 -0.741113D+01  0.703039D+01 -0.628599D+01
      6  -0.306268D+01  0.104344D+02  0.769220D+01 -0.251331D+01  0.903229D+01
                36            37            38            39            40 
      1  -0.335009D+01 -0.533602D+02  0.754826D+01  0.103525D+02  0.180695D+02
      2   0.102339D+01  0.315157D+02 -0.271303D+01  0.116066D+01 -0.110518D+02
      3   0.232669D+01  0.218445D+02 -0.483524D+01 -0.115131D+02 -0.701768D+01
      4  -0.713973D+01  0.944140D+01  0.112667D+02 -0.520528D+01  0.110750D+02
      5  -0.567693D+01  0.112755D+02 -0.775492D+01  0.154913D+02 -0.135961D+02
      6   0.616952D+01 -0.557279D+01 -0.421647D+01  0.603977D+01 -0.545848D+01
                41            42            43            44            45 
      1   0.799204D+01 -0.446843D+01  0.385944D+00 -0.277999D+01  0.251255D+02
      2  -0.154424D+02 -0.303631D+01  0.194666D+01 -0.637757D+01  0.570777D+00
      3   0.745034D+01  0.750475D+01 -0.233261D+01  0.915755D+01 -0.256963D+02
      4  -0.155099D+02 -0.172444D+02 -0.916399D+01 -0.168270D+02  0.172672D+01
      5  -0.182386D+02  0.127088D+01  0.152351D+02 -0.103365D+01  0.138796D+02
      6  -0.262714D+01  0.524867D+01  0.442347D+01  0.391456D+01  0.362626D+01
                46            47            48            49            50 
      1  -0.183622D+02  0.437024D+01  0.196657D+01  0.715543D+00 -0.727112D+01
      2   0.452135D+01 -0.323827D+01 -0.121524D+01  0.374083D+01  0.141368D+02
      3   0.138409D+02 -0.113197D+01 -0.751325D+00 -0.445637D+01 -0.686568D+01
      4  -0.129180D+01  0.466393D+01 -0.569716D+00 -0.996249D+01  0.148571D+01
      5   0.796168D+01 -0.766738D+00  0.369248D+01 -0.641403D+01 -0.142820D+01
      6  -0.325680D+01  0.113416D+00 -0.267826D+01  0.177388D+01  0.413148D+01
                51            52            53            54            55 
      1  -0.528903D+00  0.117352D+01 -0.123883D+01 -0.755348D+01  0.669254D+01
      2   0.660090D+01  0.247330D+01  0.294335D+01 -0.328399D+01 -0.196394D+01
      3  -0.607200D+01 -0.364682D+01 -0.170453D+01  0.108375D+02 -0.472860D+01
      4  -0.179037D+01 -0.446921D+01 -0.123110D+01 -0.292108D+00  0.284499D+01
      5  -0.309681D-03  0.656445D+01 -0.334486D+00  0.189419D+00 -0.594724D+00
      6  -0.246958D+01 -0.108079D+01  0.578403D+01 -0.280322D+01  0.524474D+00
                56            57            58            59            60 
      1   0.279822D+01 -0.834990D+00  0.593005D+01 -0.975934D+01 -0.727754D+00
      2  -0.110244D+01  0.137953D+00 -0.985445D+00  0.256554D+02  0.592768D+01
      3  -0.169578D+01  0.697037D+00 -0.494461D+01 -0.158960D+02 -0.519993D+01
      4   0.215866D+01  0.167686D+01  0.950788D+01  0.317307D+02  0.573652D+01
      5   0.103083D+01 -0.629218D+00 -0.131735D+01  0.647267D+01  0.867849D+01
      6   0.506363D+00 -0.925181D+00 -0.710972D+00 -0.360147D+01  0.424988D+01
                61            62            63            64            65 
      1   0.363205D+01 -0.388638D+00 -0.429724D+01 -0.288210D+00  0.823918D+00
      2  -0.119465D+01  0.591479D+01  0.285702D+01 -0.300999D+01 -0.474623D+00
      3  -0.243740D+01 -0.552615D+01  0.144022D+01  0.329820D+01 -0.349295D+00
      4   0.506803D+01  0.116153D+02  0.528788D+01 -0.141333D+01 -0.150255D+01
      5   0.407840D+00  0.577004D+01  0.381026D+01 -0.127040D+01  0.103663D+01
      6   0.120902D+00  0.336423D+01  0.256219D+01 -0.719190D+00  0.238851D+01
                66            67            68            69            70 
      1  -0.104249D+02 -0.122099D+01 -0.492690D+01  0.289441D+01 -0.895475D+01
      2  -0.825007D+00  0.904367D+00  0.216590D+01 -0.103110D+01  0.446085D+01
      3   0.112499D+02  0.316627D+00  0.276100D+01 -0.186330D+01  0.449390D+01
      4  -0.428992D+00  0.113049D+01  0.299622D+01 -0.294029D+01 -0.328095D+01
      5  -0.274587D+01  0.853491D+00 -0.228053D+01  0.235494D+01  0.756258D+01
      6  -0.278129D+01  0.512847D+00 -0.212780D+01  0.749264D+01 -0.536580D-01
                71            72            73            74            75 
      1   0.384929D+01 -0.268621D+02  0.865818D+02 -0.477963D+01 -0.713775D+01
      2  -0.227440D+00 -0.141991D+02 -0.479337D+02  0.373749D+01  0.657564D+01
      3  -0.362185D+01  0.410612D+02 -0.386481D+02  0.104214D+01  0.562112D+00
      4  -0.522081D+01  0.290307D+01  0.374471D+01  0.106739D+02 -0.476691D+00
      5   0.506143D+01 -0.339637D+02 -0.251204D+02  0.991816D+00  0.134383D+02
      6   0.762037D+01 -0.124354D+02  0.103400D+01 -0.288435D+01  0.992771D+00
                76            77            78            79            80 
      1  -0.152132D+02  0.644291D+01  0.141308D+01  0.279832D+00  0.310260D+00
      2   0.900293D+01 -0.144417D+01 -0.119398D+01  0.179349D+01  0.439341D+00
      3   0.621029D+01 -0.499874D+01 -0.219107D+00 -0.207332D+01 -0.749601D+00
      4   0.925382D+01 -0.232267D+01  0.596150D+00  0.661446D+00  0.129822D+01
      5   0.556888D+01 -0.604227D+00 -0.351642D+01  0.108993D+02 -0.467986D+00
      6  -0.241543D+01  0.124432D+01  0.823147D+00  0.376247D+00  0.982736D+00
                81            82            83            84            85 
      1   0.421120D+01  0.126496D+02  0.112613D+02  0.178152D+01 -0.181912D+00
      2  -0.488946D+01 -0.874334D+01 -0.824530D+01  0.132830D+01  0.848617D+01
      3   0.678266D+00 -0.390623D+01 -0.301601D+01 -0.310982D+01 -0.830425D+01
      4  -0.173440D+00  0.554378D+01 -0.190430D+02 -0.331750D+01  0.101819D+02
      5  -0.490306D+01 -0.241810D+01 -0.284229D+01 -0.551091D+01  0.550228D+00
      6  -0.637131D+00 -0.107044D+01  0.104588D+00 -0.478867D+01  0.462393D+01
                86            87            88            89            90 
      1   0.729548D+01  0.378211D+01 -0.166456D+01  0.350852D+01 -0.156777D+02
      2  -0.128023D+02 -0.611436D+01  0.362939D+01 -0.939071D+01  0.145357D+01
      3   0.550685D+01  0.233224D+01 -0.196484D+01  0.588219D+01  0.142242D+02
      4   0.145354D+02  0.194692D+01 -0.311494D+00  0.196023D+01  0.659435D+01
      5   0.205154D+01  0.115054D+01  0.409203D+01  0.581888D+01  0.315134D+01
      6  -0.812983D+01  0.576360D+01 -0.198695D+01  0.147984D+02  0.401111D+01
                91            92            93            94            95 
      1  -0.216029D+01 -0.244628D+02 -0.584945D+01  0.287099D+02  0.499390D+01
      2  -0.823657D+00  0.158668D+02  0.436510D-02 -0.271528D+02 -0.801138D+01
      3   0.298395D+01  0.859599D+01  0.584508D+01 -0.155711D+01  0.301748D+01
      4  -0.144747D+02  0.459783D+01  0.139728D+01  0.175275D+01 -0.936329D+01
      5  -0.657903D-01  0.297085D+00  0.548285D+01 -0.486742D+01 -0.750377D+01
      6   0.529992D-01  0.173151D+01  0.719818D+01 -0.697870D+01 -0.667365D+01
                96            97            98            99           100 
      1   0.109407D+01  0.647240D+01  0.221251D+01  0.200667D+01 -0.929056D+01
      2  -0.159394D+01 -0.913617D+01 -0.641098D+01 -0.917812D+01  0.542423D+01
      3   0.499873D+00  0.266377D+01  0.419847D+01  0.717146D+01  0.386632D+01
      4  -0.853934D+01 -0.272703D+01 -0.783028D+01  0.146111D+02  0.181528D+01
      5   0.131968D+02  0.202483D+02  0.148350D+02  0.939819D+01  0.212496D+01
      6   0.457252D+01  0.676212D+01  0.124664D+02  0.192954D+00  0.577551D+00
               101           102           103           104           105 
      1   0.463776D+01  0.292924D+01 -0.939211D+01 -0.213296D+02 -0.749124D+01
      2  -0.333465D+01 -0.796314D+00  0.863839D+01  0.188769D+02  0.964359D+01
      3  -0.130311D+01 -0.213293D+01  0.753716D+00  0.245272D+01 -0.215236D+01
      4   0.234264D+02  0.476603D+00 -0.214071D+02  0.362616D+01  0.351837D+01
      5   0.213358D+00  0.198482D+02 -0.111434D+02  0.102283D+01 -0.257100D+01
      6   0.198950D+00 -0.260784D+01  0.307330D+01  0.466898D+01 -0.475984D+01
               106           107           108           109           110 
      1   0.688173D+00 -0.733241D+01  0.142711D+02  0.907149D+01  0.224761D+02
      2   0.157948D+01  0.550587D+01 -0.171975D+02 -0.846109D+01 -0.148315D+02
      3  -0.226765D+01  0.182654D+01  0.292641D+01 -0.610405D+00 -0.764457D+01
      4  -0.120048D+02  0.174650D+01 -0.316691D+01  0.161487D+02 -0.531047D+01
      5   0.362295D+02 -0.316691D+01 -0.319597D+01  0.423891D+01 -0.702426D+00
      6  -0.216435D+01  0.649309D+01 -0.418922D+01 -0.388617D+01 -0.294512D+00
               111           112           113           114           115 
      1   0.366721D+01 -0.219328D+02  0.109457D+02  0.322279D+01 -0.418599D+01
      2  -0.461091D+00  0.198027D+02 -0.151567D+02 -0.630846D+01  0.643494D+01
      3  -0.320611D+01  0.213016D+01  0.421095D+01  0.308567D+01 -0.224895D+01
      4  -0.223105D+01  0.128613D+02  0.201167D+01  0.576328D+01 -0.106584D+01
      5  -0.184896D+01 -0.843403D-01  0.632064D+01 -0.122612D+02  0.136522D+02
      6  -0.507062D+01  0.454812D+01 -0.981409D+01  0.737831D+01 -0.587296D+01
               116           117           118           119           120 
      1   0.153367D+01 -0.609047D+01 -0.200612D+01 -0.191277D+02 -0.397546D+01
      2  -0.830901D+01 -0.450952D+01  0.502597D+00  0.141252D+02 -0.554569D+00
      3   0.677534D+01  0.106000D+02  0.150353D+01  0.500253D+01  0.453003D+01
      4   0.768434D+01 -0.147777D+02 -0.113461D+02 -0.122669D+02 -0.614190D+00
      5  -0.149132D+02 -0.835287D+01 -0.299340D+01 -0.135524D+01 -0.334274D+01
      6   0.157122D+02  0.344806D+01  0.215062D+01  0.520410D+00  0.788845D+01
               121           122           123           124           125 
      1   0.449846D+01  0.220461D+01  0.296838D+01  0.305815D+00  0.389284D+01
      2  -0.140370D+02 -0.538096D+01 -0.323388D+01 -0.588680D+01 -0.626542D+01
      3   0.953849D+01  0.317635D+01  0.265494D+00  0.558099D+01  0.237258D+01
      4   0.474374D+01 -0.133789D+02 -0.221535D+01  0.242596D+01 -0.138862D+01
      5   0.297039D+01 -0.211922D+01  0.158137D+01  0.182487D+01 -0.182542D+01
      6  -0.670716D+01 -0.493797D+01  0.439145D+01  0.527831D+01  0.112571D+02
               126           127           128           129           130 
      1  -0.149109D+02 -0.509945D+01  0.880866D+01  0.195854D+01  0.746494D+01
      2   0.167891D+01  0.663977D+01 -0.108711D+02 -0.159288D+01 -0.924220D+01
      3   0.132320D+02 -0.154032D+01  0.206247D+01 -0.365654D+00  0.177726D+01
      4  -0.293582D+01 -0.374240D+01  0.723709D+01  0.114148D+01  0.510864D+01
      5   0.339903D+00 -0.819724D+00  0.114751D+01  0.168367D+01  0.943230D+00
      6   0.663505D+00  0.202824D+01 -0.273176D+01 -0.213831D+01 -0.241230D+01
               131           132           133           134           135 
      1  -0.329112D+02 -0.632396D+01  0.149601D+01 -0.604743D+01 -0.218591D+01
      2   0.438561D+02  0.588082D+01 -0.194372D+01  0.756281D+01  0.278836D+01
      3  -0.109449D+02  0.443138D+00  0.447706D+00 -0.151538D+01 -0.602449D+00
      4   0.558691D+00  0.412534D+00  0.111288D+01  0.109536D+00 -0.119257D+01
      5   0.596383D+00 -0.116165D+00  0.545060D+00 -0.501143D+00 -0.463278D+00
      6   0.104513D+02  0.792117D+01 -0.609267D+00  0.339011D+01  0.219587D+01
               136           137           138           139           140 
      1   0.216910D+02  0.136123D+02  0.229680D+01  0.927949D+01  0.368408D+01
      2  -0.413348D+01  0.918375D+00 -0.796476D+00  0.580467D+01  0.159771D+02
      3  -0.175575D+02 -0.145307D+02 -0.150033D+01 -0.150842D+02 -0.196612D+02
      4   0.322521D+02  0.296701D+02  0.399731D+01  0.329759D+02  0.427621D+02
      5   0.609124D+01  0.455582D+01  0.608738D+01  0.629618D+01  0.736924D+01
      6   0.250880D+01  0.223847D+01  0.312328D+01  0.396010D+01  0.557997D+01
               141           142           143           144           145 
      1   0.692896D+00  0.128676D+01  0.157859D+00 -0.797252D-01  0.970996D+02
      2   0.683814D+00  0.101281D+01  0.250613D+01  0.101904D+01 -0.543003D+02
      3  -0.137671D+01 -0.229957D+01 -0.266399D+01 -0.939320D+00 -0.427993D+02
      4   0.644652D+01  0.548457D+01  0.685012D+01  0.235551D+01 -0.150038D+02
      5   0.572898D+01  0.197150D+01  0.198197D+01  0.122827D+01 -0.476789D+01
      6   0.591706D+01  0.146733D+01  0.211073D+01  0.167261D+01 -0.193114D+01
               146           147           148           149           150 
      1  -0.898793D+01 -0.386004D+01 -0.854951D+01  0.939221D+01  0.164781D+01
      2   0.432962D+01  0.253124D+01  0.371209D+01 -0.415011D+01 -0.140099D+01
      3   0.465831D+01  0.132881D+01  0.483743D+01 -0.524210D+01 -0.246827D+00
      4   0.990246D+01  0.433209D+00  0.156267D+02 -0.459724D+01 -0.985472D+00
      5   0.233314D+00  0.970097D+01  0.313892D+01 -0.893777D+00 -0.129185D+01
      6  -0.675217D-01 -0.700334D+00 -0.424459D+00 -0.111672D+00  0.165109D+01
               151           152           153           154           155 
      1  -0.432250D+01  0.171182D+01  0.229546D+01  0.506924D+01 -0.422920D+01
      2   0.227833D+01 -0.936202D+00 -0.130899D+01  0.350822D+01 -0.552886D+01
      3   0.204417D+01 -0.775618D+00 -0.986471D+00 -0.857746D+01  0.975806D+01
      4   0.334272D+01 -0.115761D+01 -0.508138D+00 -0.178536D+02  0.227149D+02
      5   0.124717D+01 -0.288390D+00 -0.842552D+00 -0.339247D+01  0.378371D+01
      6  -0.408973D-01  0.514663D+00  0.415552D+00  0.258849D+01 -0.296341D+01
               156           157           158           159           160 
      1  -0.877203D+00  0.857427D+00 -0.157827D+02 -0.301022D+01  0.117930D-01
      2  -0.361807D+00 -0.113174D+02  0.377464D+02  0.481937D+01 -0.180930D+01
      3   0.123901D+01  0.104600D+02 -0.219637D+02 -0.180915D+01  0.179750D+01
      4   0.417216D+01  0.237970D+02 -0.460022D+02 -0.845032D+01  0.478903D+01
      5   0.420626D+01  0.430233D+01 -0.767579D+01 -0.541781D+01  0.162207D+01
      6  -0.251640D+01 -0.432074D+01  0.105850D+02  0.828384D+01 -0.159294D+01
               161           162           163           164           165 
      1  -0.275384D+01 -0.143853D+01 -0.393239D+01 -0.616994D+01 -0.921240D+00
      2   0.653622D+01  0.249920D+01  0.609596D+01  0.897310D+01  0.695644D+00
      3  -0.378239D+01 -0.106067D+01 -0.216357D+01 -0.280316D+01  0.225596D+00
      4  -0.918986D+01 -0.266749D+01  0.879019D+01  0.839321D+01  0.703079D+00
      5  -0.188879D+01 -0.145935D+01  0.407304D+00  0.495355D+00  0.182668D+01
      6   0.341607D+01  0.247848D+01  0.118867D+01  0.170760D+01  0.188475D+01
               166           167           168           169           170 
      1  -0.747277D+01 -0.198079D+02 -0.338004D+01 -0.890107D+00 -0.312759D+01
      2   0.104721D+02  0.267191D+02  0.278267D+01  0.172103D+01  0.405877D+01
      3  -0.299933D+01 -0.691115D+01  0.597372D+00 -0.830919D+00 -0.931176D+00
      4   0.852492D+01  0.848519D+01  0.781587D+00  0.109097D+01  0.105718D+01
      5   0.673544D+00  0.908626D+00  0.166535D+01  0.510568D+00  0.766899D+00
      6   0.212086D+01  0.473056D+01  0.525722D+01  0.374272D+00  0.175471D+01
               171 
      1  -0.517126D+00
      2   0.141316D+01
      3  -0.896029D+00
      4   0.183436D+01
      5   0.563516D+00
      6   0.102277D+01
 Leave Link  716 at Thu Aug 12 22:55:05 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.129504D+03  0.983548D+00 -0.149236D+01
      2   0.983548D+00  0.104661D+03  0.551542D+01
      3  -0.149236D+01  0.551542D+01  0.746232D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.339239D+00 -0.829768D+01 -0.244817D+01
      2   0.118934D+02 -0.101821D+02  0.544871D+01
      3   0.158444D+01  0.419304D+02  0.965433D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.942856D+02 -0.401320D+01  0.783049D+01
      2   0.334750D+02  0.107189D+02  0.729132D+01
      3   0.608106D+02 -0.670573D+01 -0.151218D+02
      4   0.159640D+02 -0.833593D+02 -0.258166D+02
      5  -0.179376D+02 -0.264158D+02  0.191270D+02
      6  -0.106270D+02 -0.153895D+02  0.101256D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.529493D+01 -0.998374D+00  0.236720D+01 -0.244843D+01  0.198131D+01
      2  -0.998374D+00  0.748796D+00 -0.425229D+00  0.198131D+01 -0.299504D+01
      3   0.236720D+01 -0.425229D+00  0.268933D+01 -0.117573D+01 -0.589062D-02
                 6             7             8             9            10 
      1  -0.117573D+01  0.542879D+01 -0.102474D+01  0.393617D+01 -0.341956D+01
      2  -0.589062D-02 -0.102474D+01 -0.128297D+01 -0.310089D+01 -0.735593D-01
      3  -0.329227D+01  0.393617D+01 -0.310089D+01  0.293726D+01 -0.622620D+00
                11            12            13            14            15 
      1  -0.735593D-01 -0.622620D+00 -0.101652D+01 -0.239975D+01  0.197334D+01
      2  -0.720321D+00  0.158971D+01 -0.239975D+01  0.368231D+01  0.315969D+01
      3   0.158971D+01 -0.247894D+01  0.197334D+01  0.315969D+01  0.814721D-01
                16            17            18            19            20 
      1  -0.381854D+01  0.208181D+01 -0.526228D+01 -0.544292D+00  0.417653D+00
      2   0.208181D+01  0.356537D+01  0.167661D+01  0.417653D+00 -0.412892D+00
      3  -0.526228D+01  0.167661D+01 -0.181070D+01  0.102909D+00 -0.398935D+00
                21            22            23            24            25 
      1   0.102909D+00  0.198450D+01 -0.795594D-01  0.327845D+00  0.159729D+01
      2  -0.398935D+00 -0.795594D-01  0.213015D+01  0.176197D+01 -0.182938D+00
      3  -0.119629D+01  0.327845D+00  0.176197D+01  0.301334D+01  0.363760D+00
                26            27            28            29            30 
      1  -0.182938D+00  0.363760D+00  0.335272D+00 -0.116780D+01 -0.683703D+00
      2   0.182474D+01  0.126483D+01 -0.116780D+01  0.117450D+01  0.179972D+00
      3   0.126483D+01  0.409387D+01 -0.683703D+00  0.179972D+00  0.743634D+00
                31            32            33            34            35 
      1  -0.250181D+01  0.190721D+01  0.367414D+00 -0.971611D+00  0.396431D+00
      2   0.190721D+01 -0.595730D+01 -0.181326D+01  0.396431D+00 -0.221666D+01
      3   0.367414D+00 -0.181326D+01 -0.175218D+01  0.110526D+01 -0.162445D+01
                36            37            38            39            40 
      1   0.110526D+01 -0.843437D+01  0.217049D+01  0.557088D-01  0.474142D+01
      2  -0.162445D+01  0.217049D+01  0.132809D+01 -0.122028D+01  0.144359D+01
      3  -0.142620D+01  0.557088D-01 -0.122028D+01  0.314806D+01 -0.160962D+01
                41            42            43            44            45 
      1   0.144359D+01 -0.160962D+01 -0.140265D+01 -0.157247D+01  0.273612D+01
      2  -0.322552D+01 -0.305014D+01 -0.157247D+01 -0.299874D+01 -0.634039D+00
      3  -0.305014D+01 -0.296113D-01  0.273612D+01 -0.634039D+00  0.471247D+01
                46            47            48            49            50 
      1   0.166761D+02 -0.182315D+01  0.927432D+00 -0.298937D+01 -0.151440D+01
      2  -0.182315D+01  0.268102D+01  0.126411D-01 -0.151440D+01 -0.560495D+00
      3   0.927432D+00  0.126411D-01  0.226764D+01 -0.164294D+01 -0.382443D+00
                51            52            53            54            55 
      1  -0.164294D+01 -0.917281D+00 -0.108114D+01  0.386762D+01  0.110927D+01
      2  -0.382443D+00 -0.108114D+01 -0.216630D+00 -0.473314D+00  0.389385D+00
      3  -0.911785D-01  0.386762D+01 -0.473314D+00 -0.337751D+00  0.222517D+00
                56            57            58            59            60 
      1   0.389385D+00  0.222517D+00  0.174754D+01  0.871422D+00 -0.536203D-01
      2  -0.935726D-01  0.259710D+00  0.871422D+00  0.611858D+01  0.104569D+01
      3   0.259710D+00 -0.292345D+00 -0.536203D-01  0.104569D+01  0.168031D+01
                61            62            63            64            65 
      1   0.111241D+01  0.618406D+00 -0.989257D-01  0.751929D-01 -0.107275D+00
      2   0.618406D+00  0.212278D+01  0.115441D+01 -0.107275D+00 -0.505300D+00
      3  -0.989257D-01  0.115441D+01  0.569803D+00 -0.877172D+00  0.374950D+00
                66            67            68            69            70 
      1  -0.877172D+00 -0.416892D+00 -0.517390D-01  0.137505D+00 -0.176855D+01
      2   0.374950D+00 -0.517390D-01  0.695778D+00 -0.844214D+00 -0.183078D+00
      3  -0.199687D+01  0.137505D+00 -0.844214D+00  0.559662D+00  0.621091D-01
                71            72            73            74            75 
      1  -0.183078D+00  0.621091D-01  0.129856D+02 -0.462385D+00 -0.152351D+01
      2  -0.123141D+01  0.123561D+01 -0.462385D+00  0.111058D+01 -0.332129D-01
      3   0.123561D+01 -0.861442D+01 -0.152351D+01 -0.332129D-01  0.126147D+01
                76            77            78            79            80 
      1  -0.249633D+01  0.101144D+01  0.509782D+00 -0.311239D-01  0.160210D+00
      2   0.101144D+01 -0.286691D+00  0.166215D+00  0.160210D+00  0.329958D+00
      3   0.509782D+00  0.166215D+00 -0.513802D+00  0.103093D+01  0.195361D-01
                81            82            83            84            85 
      1   0.103093D+01 -0.500114D+01  0.278414D+01  0.123514D+00 -0.643201D+01
      2   0.195361D-01  0.278414D+01  0.293791D+01  0.282067D+00  0.358258D+00
      3  -0.728138D+00  0.123514D+00  0.282067D+00  0.140955D+01 -0.273292D+00
                86            87            88            89            90 
      1   0.358258D+00 -0.273292D+00 -0.119804D+01 -0.524194D+00  0.103874D+01
      2  -0.194871D+01  0.737566D+00 -0.524194D+00  0.101023D+01 -0.372418D+01
      3   0.737566D+00 -0.195167D+01  0.103874D+01 -0.372418D+01 -0.232286D+01
                91            92            93            94            95 
      1   0.219377D+01 -0.817540D+00  0.650377D-01 -0.606479D+01  0.651972D+00
      2  -0.817540D+00 -0.367402D+01 -0.764601D+00  0.651972D+00 -0.745522D+00
      3   0.650377D-01 -0.764601D+00 -0.192567D+01  0.580368D+00  0.120806D+01
                96            97            98            99           100 
      1   0.580368D+00 -0.131935D+01  0.598331D+00 -0.306662D+01 -0.628036D+01
      2   0.120806D+01  0.598331D+00  0.143810D+01 -0.334403D+01  0.241546D+00
      3  -0.202078D+01 -0.306662D+01 -0.334403D+01 -0.160663D+01 -0.218703D+00
               101           102           103           104           105 
      1   0.241546D+00 -0.218703D+00  0.842077D+00  0.821512D+00  0.147906D+01
      2  -0.354246D+01 -0.539437D-01  0.821512D+00 -0.257902D+00 -0.578792D+00
      3  -0.539437D-01 -0.326195D+01  0.147906D+01 -0.578792D+00  0.215107D+00
               106           107           108           109           110 
      1   0.767904D-01  0.127729D+01 -0.543793D+01  0.425283D+01 -0.678487D+00
      2   0.127729D+01 -0.169430D+00  0.484289D+00 -0.678487D+00 -0.248773D+01
      3  -0.543793D+01  0.484289D+00  0.600195D+00 -0.179573D+00  0.241706D-01
               111           112           113           114           115 
      1  -0.179573D+00  0.546597D+01 -0.466012D+00  0.257115D+00  0.118049D+01
      2   0.241706D-01 -0.466012D+00  0.182210D+01 -0.912976D+00  0.431220D+00
      3  -0.102520D+01  0.257115D+00 -0.912976D+00  0.239408D+01 -0.185116D+01
               116           117           118           119           120 
      1   0.431220D+00 -0.185116D+01 -0.424565D+01 -0.517856D+00 -0.560124D-01
      2  -0.110779D+01  0.394871D+01 -0.517856D+00  0.397378D+01  0.543203D+00
      3   0.394871D+01  0.247215D+01 -0.560124D-01  0.543203D+00  0.203853D+01
               121           122           123           124           125 
      1   0.847842D+01  0.270169D+00  0.210100D+00  0.190390D+01  0.148227D-01
      2   0.270169D+00  0.130998D+01 -0.579934D+00  0.148227D-01 -0.113197D+01
      3   0.210100D+00 -0.579934D+00  0.159169D+01  0.193183D+01  0.316356D+01
               126           127           128           129           130 
      1   0.193183D+01  0.151100D+01 -0.177852D+01 -0.382226D+00 -0.150835D+01
      2   0.316356D+01 -0.177852D+01  0.225185D+01  0.448781D+00  0.202515D+01
      3   0.146111D+01 -0.382226D+00  0.448781D+00  0.271976D+00  0.435903D+00
               131           132           133           134           135 
      1   0.202515D+01  0.435903D+00 -0.393097D+00  0.486688D+00 -0.101331D-02
      2  -0.854079D+01 -0.150055D+01  0.486688D+00 -0.158706D+01 -0.351624D+00
      3  -0.150055D+01 -0.109713D+01 -0.101331D-02 -0.351624D+00 -0.180384D+00
               136           137           138           139           140 
      1  -0.486330D+01 -0.378777D+01 -0.631575D+00 -0.369333D+01 -0.437893D+01
      2  -0.378777D+01 -0.349744D+01 -0.483924D+00 -0.437893D+01 -0.645954D+01
      3  -0.631575D+00 -0.483924D+00 -0.601915D+00 -0.775125D+00 -0.100772D+01
               141           142           143           144           145 
      1  -0.775125D+00 -0.588829D+00 -0.717267D+00 -0.114284D+00 -0.128119D+02
      2  -0.100772D+01 -0.717267D+00 -0.118855D+01 -0.135569D+00  0.131579D+01
      3  -0.861998D+00 -0.114284D+00 -0.135569D+00 -0.140379D+00  0.588870D+00
               146           147           148           149           150 
      1   0.131579D+01  0.588870D+00  0.137056D+01 -0.164314D+01 -0.380511D+00
      2  -0.871700D+00 -0.396610D-01 -0.164314D+01  0.471498D+00  0.101573D+00
      3  -0.396610D-01 -0.858354D+00 -0.380511D+00  0.101573D+00  0.141123D+00
               151           152           153           154           155 
      1   0.545087D+00 -0.390537D+00  0.624474D-01 -0.217474D+01  0.252290D+01
      2  -0.390537D+00  0.101646D+00  0.165709D-01  0.252290D+01 -0.275761D+01
      3   0.624474D-01  0.165709D-01  0.805765D-01  0.548219D+00 -0.532995D+00
               156           157           158           159           160 
      1   0.548219D+00  0.222437D+01 -0.366219D+01 -0.758506D+00  0.490583D+00
      2  -0.532995D+00 -0.366219D+01  0.914222D+01  0.172283D+01 -0.762430D+00
      3  -0.436445D+00 -0.758506D+00  0.172283D+01  0.113511D+01 -0.140620D+00
               161           162           163           164           165 
      1  -0.762430D+00 -0.140620D+00  0.334125D+01  0.237081D+01  0.173681D+00
      2   0.181741D+01  0.288078D+00  0.237081D+01  0.235652D+01  0.237577D+00
      3   0.288078D+00  0.181378D+00  0.173681D+00  0.237577D+00  0.243785D+00
               166           167           168           169           170 
      1   0.271299D+01  0.285369D+01  0.390908D+00  0.737178D-01  0.373582D+00
      2   0.285369D+01  0.560492D+01  0.772322D+00  0.373582D+00  0.920981D+00
      3   0.390908D+00  0.772322D+00  0.798717D+00 -0.162153D+00  0.135875D+00
               171 
      1  -0.162153D+00
      2   0.135875D+00
      3   0.586516D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.503451D+00  0.397214D+01  0.149630D+01  0.731719D+00 -0.571502D+01
      2   0.146837D+01  0.630824D+00  0.126363D+02  0.282904D+01 -0.241370D+01
      3  -0.894352D+00 -0.841825D+01 -0.158039D+01 -0.392868D+01  0.645486D+01
                 6             7             8             9            10 
      1  -0.768436D+01  0.266927D+01  0.333095D+00 -0.112259D-01  0.341224D-02
      2  -0.779766D+01  0.600849D+01 -0.791679D+01  0.516254D+01 -0.375281D+00
      3   0.187165D+01 -0.344743D+01  0.255355D+01  0.551944D+01  0.450610D+01
                11            12            13            14            15 
      1   0.556121D+00  0.433159D-01  0.109067D+01  0.123476D+01 -0.333294D+01
      2   0.124898D+01 -0.424956D+01  0.136008D+01  0.577986D+01  0.105448D+01
      3   0.350778D+01 -0.647029D+00  0.126396D+02 -0.700653D+01 -0.806249D+01
                16            17            18            19            20 
      1  -0.198460D+01  0.541079D+00 -0.146217D+01  0.208743D+01 -0.201879D+01
      2  -0.149862D+02  0.489022D+01 -0.523510D+01  0.402849D+01 -0.198842D+01
      3   0.365531D-02 -0.974018D+01 -0.138605D+01 -0.247676D+01  0.218698D+01
                21            22            23            24            25 
      1  -0.894959D+00 -0.143510D+01  0.592769D+01  0.360105D+01 -0.426570D+00
      2  -0.302297D+01 -0.309736D+01  0.497927D+01  0.733200D+01 -0.173225D+01
      3   0.100944D+01  0.343082D+01 -0.489881D+01 -0.463486D+01  0.241148D+00
                26            27            28            29            30 
      1   0.454160D+01  0.449840D+01  0.426895D-01 -0.580335D+00  0.713534D+00
      2   0.357427D+01  0.888956D+01 -0.158397D+01  0.268533D+00  0.206775D+01
      3  -0.337486D+01 -0.391717D+01  0.320968D+01 -0.305828D+01 -0.157451D+00
                31            32            33            34            35 
      1  -0.820544D-01  0.135047D+01 -0.274584D+01  0.765744D+00  0.121897D+01
      2  -0.499446D+00 -0.329867D+01 -0.377758D+01  0.154525D+00 -0.291661D+01
      3   0.140864D+01  0.118586D+02  0.376325D+01  0.814681D+00  0.494229D+01
                36            37            38            39            40 
      1  -0.772830D+00 -0.275133D+01 -0.177578D+01 -0.131788D+01  0.215514D-01
      2  -0.220571D+01 -0.723431D+01 -0.818743D+00  0.111228D+02 -0.311731D+00
      3   0.278430D+01 -0.148916D+02 -0.653751D+01  0.402882D+01 -0.674158D+00
                41            42            43            44            45 
      1   0.579785D+01  0.191552D+01  0.781858D+00  0.631560D+01 -0.487483D+01
      2  -0.675129D+01 -0.244895D+01  0.304151D+01 -0.372196D+01  0.170031D+02
      3   0.121919D+02  0.860559D+01  0.360036D+01  0.877848D+01  0.341350D+01
                46            47            48            49            50 
      1   0.595548D+00  0.215525D+00  0.413462D+00  0.840352D+00 -0.222976D+01
      2   0.226226D+01 -0.143841D+01 -0.651971D+00 -0.953261D+00 -0.863338D+00
      3  -0.156461D+01  0.498188D+01  0.947503D+00  0.160915D+02 -0.150144D+01
                51            52            53            54            55 
      1   0.160263D+01  0.975929D+00  0.105051D+02  0.205321D+01 -0.682397D+00
      2   0.151218D+00 -0.156988D+02 -0.315145D+00 -0.862652D+00  0.102849D+01
      3   0.226445D+01  0.103565D+00  0.756759D+00 -0.743710D+00 -0.143029D+01
                56            57            58            59            60 
      1  -0.542776D-01  0.147065D+00 -0.102563D+00 -0.773833D+01 -0.532350D+01
      2   0.819580D+00 -0.213832D+00  0.590544D+00  0.374063D+01  0.455195D+01
      3   0.724271D+00 -0.323420D+00  0.285296D+01 -0.177622D+02 -0.414876D+01
                61            62            63            64            65 
      1  -0.314962D+00 -0.191811D+01 -0.226791D+01  0.779384D+00  0.120585D+01
      2  -0.985494D+00  0.309708D+01  0.156467D+01 -0.364520D+01  0.542985D+00
      3   0.694763D+00 -0.644227D+01 -0.372502D+01  0.416684D-01  0.866658D+00
                66            67            68            69            70 
      1   0.125604D+01  0.475510D+00 -0.448894D+00 -0.660953D+00  0.670655D+00
      2  -0.540319D+01 -0.509675D-01 -0.198195D+01  0.177081D+01 -0.497452D+01
      3  -0.143036D+01  0.146711D+01 -0.182711D+01  0.194954D+01 -0.139092D+01
                71            72            73            74            75 
      1   0.294689D+01  0.508162D+01  0.145009D+01 -0.170294D+01 -0.640869D+00
      2   0.291634D+01 -0.220280D+02  0.776722D+01 -0.608492D+00  0.522009D+01
      3   0.281223D+01 -0.395830D+01  0.931401D+01 -0.713352D+01 -0.789356D+00
                76            77            78            79            80 
      1  -0.114799D+01  0.149413D+00 -0.779983D+00 -0.614052D+00  0.230152D+00
      2  -0.712146D+00  0.143791D+01 -0.130895D+01  0.121084D+01  0.126466D+00
      3  -0.311043D+01  0.113160D+01 -0.744256D+00 -0.764574D+00 -0.790757D+00
                81            82            83            84            85 
      1   0.177092D+00 -0.817855D+00 -0.986150D+00  0.209985D+01 -0.119335D+01
      2  -0.134188D+01 -0.286267D+01  0.152948D+01 -0.145610D+01  0.122502D+01
      3   0.310966D+00  0.517525D+01 -0.403976D+01 -0.157625D+01  0.414555D+01
                86            87            88            89            90 
      1   0.428151D+00 -0.305206D+01  0.425496D+01  0.640084D+00 -0.660922D+00
      2   0.105627D+01  0.160045D+01 -0.127962D+02  0.169558D+01  0.208197D+01
      3  -0.608176D+01 -0.769983D+00 -0.156981D+01 -0.126693D-01 -0.507245D+01
                91            92            93            94            95 
      1   0.505502D-02  0.484656D+00 -0.277285D+01  0.116320D+01  0.158709D-01
      2   0.107958D+01  0.135063D+01  0.254758D+01 -0.106235D+01 -0.288888D+01
      3  -0.345342D+01 -0.102942D+02 -0.169167D+01  0.615297D+01 -0.147058D+01
                96            97            98            99           100 
      1  -0.229771D+01 -0.671938D+01  0.385605D+01  0.793512D+00  0.137647D+00
      2   0.634290D+01 -0.336687D+01  0.980199D+01  0.431219D+01 -0.898394D+00
      3   0.214128D+01  0.765100D+00  0.282004D+01 -0.420904D+01  0.255297D+01
               101           102           103           104           105 
      1   0.148783D+00  0.119431D+01  0.123961D-01 -0.317833D+01  0.269632D+01
      2  -0.519239D+00  0.859053D+01 -0.431933D+01 -0.165421D+00 -0.145034D+01
      3  -0.706092D+01  0.353695D+00  0.120762D+02  0.184562D+01 -0.539431D+00
               106           107           108           109           110 
      1   0.226548D+01  0.110324D+02  0.276978D+01  0.568863D+00 -0.219665D+00
      2   0.774019D+01 -0.218428D+01 -0.175854D+01  0.177756D+01  0.284984D+01
      3   0.382357D+01 -0.536181D+00  0.770259D+00 -0.319837D+01 -0.135184D+02
               111           112           113           114           115 
      1   0.220378D+01 -0.101678D+01  0.539153D+00 -0.386345D+01  0.496762D+01
      2   0.521889D+00  0.131454D+01  0.297407D+01 -0.575290D+01 -0.806270D+01
      3  -0.259525D+01  0.371429D+01  0.131448D+01 -0.205883D+01 -0.295818D+00
               116           117           118           119           120 
      1   0.748722D+00 -0.116234D+01 -0.145805D+01  0.339858D-01 -0.354186D+01
      2  -0.926602D+01 -0.402311D+01 -0.171622D+01  0.223143D+00 -0.190193D+01
      3  -0.238151D+01  0.479474D+01 -0.789342D+00  0.720113D+00  0.961583D+00
               121           122           123           124           125 
      1   0.818272D+00 -0.494251D+00 -0.203263D+01 -0.685348D+01  0.295474D+01
      2   0.333318D+01 -0.870694D+00 -0.748955D+00 -0.122076D+02 -0.295564D+00
      3   0.177507D+01  0.568758D+01 -0.306222D+00 -0.157521D+01  0.224312D+00
               126           127           128           129           130 
      1  -0.184399D+00  0.235874D-01 -0.234383D+00  0.142014D+01  0.100021D-01
      2  -0.612786D+00  0.124664D+01 -0.913292D+00  0.262270D+00 -0.119092D+01
      3   0.563884D+01 -0.582019D+01  0.365748D+01  0.981106D+00  0.685623D+01
               131           132           133           134           135 
      1   0.735261D+00 -0.410133D+01 -0.438738D+00  0.221107D+01 -0.291848D+00
      2   0.184027D+01 -0.291466D+00 -0.173470D+01  0.418586D+00 -0.153749D+00
      3  -0.851155D+01 -0.191575D+01  0.126992D+01 -0.152417D+01 -0.209350D+00
               136           137           138           139           140 
      1   0.178937D+00  0.535460D+00 -0.219885D+01 -0.103549D+00  0.414884D+00
      2  -0.576459D-01  0.107060D+00  0.283352D+01  0.705615D+00  0.136863D+01
      3  -0.140830D+01 -0.483932D+01 -0.283131D+00 -0.332709D+01 -0.107903D+02
               141           142           143           144           145 
      1  -0.323197D+01  0.884297D+00  0.168548D+01 -0.348671D+00 -0.105990D+00
      2   0.332895D+01 -0.103516D+01 -0.550225D+00  0.371216D+00 -0.855172D+00
      3  -0.134394D+01 -0.731061D+00 -0.207771D+01 -0.115722D+00  0.513610D+00
               146           147           148           149           150 
      1  -0.206262D+00  0.641736D+00  0.606772D-01 -0.846171D-02 -0.478717D+00
      2  -0.388172D-01  0.602714D+01  0.141644D+01 -0.292830D+00 -0.868566D+00
      3  -0.536570D+01  0.123135D+00 -0.364987D+01  0.148557D+01  0.245164D+00
               151           152           153           154           155 
      1  -0.411825D+00  0.533529D+00 -0.466835D-02 -0.169095D+00 -0.129858D+00
      2  -0.291765D+01  0.189517D+00 -0.286916D+00 -0.287345D+00  0.419226D+00
      3  -0.148554D+01  0.520003D+00 -0.481900D-01  0.678596D+00 -0.255426D+01
               156           157           158           159           160 
      1   0.159675D+01  0.258837D+00  0.281707D+00 -0.436573D+01 -0.610774D+00
      2   0.152471D+01  0.465688D+00 -0.243873D+01 -0.303553D+01 -0.645159D+00
      3  -0.278038D+00 -0.108240D+01  0.132906D+02  0.222532D+01 -0.266819D+00
               161           162           163           164           165 
      1   0.202186D+01 -0.497589D+00  0.615523D+00  0.755915D+00 -0.185902D+01
      2   0.178139D+00 -0.477193D+00 -0.188960D+01 -0.905905D+00  0.857823D+00
      3   0.271962D+01  0.398116D+00  0.944451D+01  0.383723D+01  0.191285D+00
               166           167           168           169           170 
      1   0.345402D+00  0.178859D+00 -0.317727D+01  0.629395D+00  0.193954D+01
      2  -0.104265D+01 -0.121142D+01  0.134813D+01 -0.176416D+01 -0.212422D+00
      3   0.791371D+01  0.508030D+01  0.711191D+00  0.210418D+00  0.753020D+00
               171 
      1  -0.784177D-01
      2   0.347469D+00
      3  -0.245168D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.208448D+02 -0.303210D+01  0.193288D+01 -0.368438D+01  0.467382D+01
      2  -0.143996D+02 -0.260548D+00 -0.724313D+01  0.102603D+01  0.422749D+01
      3  -0.644527D+01  0.329265D+01  0.531026D+01  0.265835D+01 -0.890131D+01
      4  -0.539678D+01  0.141789D+02 -0.273413D+01  0.161239D+02 -0.153047D+02
      5   0.157160D+02 -0.331140D+01  0.225027D+02 -0.805706D+01  0.272605D+01
      6  -0.459888D+01  0.532160D+01 -0.127940D+01  0.480196D+01 -0.103290D+02
                 6             7             8             9            10 
      1   0.790095D+01  0.363636D+01  0.526730D+01  0.621818D+00  0.583420D+01
      2   0.421309D+01 -0.128666D+02  0.350486D+01 -0.118829D+02 -0.229732D+01
      3  -0.121140D+02  0.923023D+01 -0.877216D+01  0.112611D+02 -0.353688D+01
      4   0.719303D+00 -0.587535D+01 -0.232798D+01 -0.145505D+02 -0.330395D+01
      5  -0.132315D+02  0.301355D+02 -0.124090D+02  0.217313D+02 -0.506722D+01
      6   0.306270D+01 -0.458964D+01  0.686507D+01 -0.130836D+02  0.416281D+01
                11            12            13            14            15 
      1  -0.323308D+01  0.111111D+01 -0.108725D+02  0.199458D+00  0.594799D+01
      2   0.139613D+01  0.127426D+01  0.819948D+01 -0.571831D+01 -0.104523D+02
      3   0.183695D+01 -0.238538D+01  0.267299D+01  0.551885D+01  0.450431D+01
      4  -0.137591D+02  0.670570D+01 -0.143580D+02  0.170038D+02  0.156115D+02
      5   0.693050D+01 -0.181990D+02  0.138593D+02  0.150690D+02 -0.454503D+00
      6   0.218460D+01  0.229535D+00  0.614811D+01 -0.504979D+01 -0.561309D+01
                16            17            18            19            20 
      1  -0.142030D+01  0.538652D+01 -0.635384D+01 -0.115570D+01  0.216280D+01
      2   0.894490D+01 -0.549706D+01  0.769203D+01  0.146112D+00  0.255951D+00
      3  -0.752459D+01  0.110547D+00 -0.133819D+01  0.100959D+01 -0.241875D+01
      4   0.132452D+02  0.162992D+02  0.657958D+01  0.165306D+01 -0.319412D+01
      5  -0.350745D+02  0.568670D+01 -0.969180D+01  0.707597D+00 -0.438481D+00
      6   0.350569D+01 -0.109299D+02  0.562979D+01  0.152529D+01 -0.199756D+01
                21            22            23            24            25 
      1   0.558364D+01  0.473991D+01 -0.622314D+01 -0.621246D+01  0.453805D+01
      2   0.676062D+00 -0.277469D+01 -0.426158D+00 -0.381181D+01 -0.246547D+01
      3  -0.625970D+01 -0.196522D+01  0.664930D+01  0.100243D+02 -0.207258D+01
      4  -0.168407D+01 -0.234228D+00  0.903547D+01  0.740156D+01 -0.128534D+01
      5  -0.285957D+01  0.346612D+01  0.561728D+01  0.106446D+02  0.480018D+01
      6  -0.114825D+01 -0.564556D+00  0.709186D+01  0.776015D+01 -0.820023D+00
                26            27            28            29            30 
      1  -0.382473D+01 -0.896342D+01  0.279294D+01 -0.316583D+01 -0.168878D+01
      2  -0.274385D+01 -0.629457D+01  0.137643D+01  0.342089D+00  0.457314D+00
      3   0.656858D+01  0.152580D+02 -0.416937D+01  0.282374D+01  0.123146D+01
      4   0.663880D+01  0.551186D+01 -0.742431D+01  0.108532D+02  0.207335D+01
      5   0.417765D+01  0.127654D+02 -0.350544D+01  0.197098D+01  0.579856D+01
      6   0.611424D+01  0.457530D+01  0.269346D+01 -0.186044D+01 -0.722164D+00
                31            32            33            34            35 
      1  -0.240068D+01 -0.958644D+01 -0.309844D+01 -0.147362D+01 -0.401409D+01
      2  -0.191708D+01  0.187195D+02  0.497909D+01  0.224154D-01  0.350913D+01
      3   0.431776D+01 -0.913305D+01 -0.188065D+01  0.145120D+01  0.504956D+00
      4   0.128020D+02 -0.267687D+02 -0.826098D+01  0.296319D+01 -0.100861D+02
      5   0.285708D+01 -0.741012D+01 -0.741113D+01  0.703039D+01 -0.628599D+01
      6  -0.306268D+01  0.104344D+02  0.769220D+01 -0.251331D+01  0.903229D+01
                36            37            38            39            40 
      1  -0.335009D+01 -0.533602D+02  0.754826D+01  0.103525D+02  0.180695D+02
      2   0.102339D+01  0.315157D+02 -0.271303D+01  0.116066D+01 -0.110518D+02
      3   0.232669D+01  0.218445D+02 -0.483524D+01 -0.115131D+02 -0.701768D+01
      4  -0.713973D+01  0.944140D+01  0.112667D+02 -0.520528D+01  0.110750D+02
      5  -0.567693D+01  0.112755D+02 -0.775492D+01  0.154913D+02 -0.135961D+02
      6   0.616952D+01 -0.557279D+01 -0.421647D+01  0.603977D+01 -0.545848D+01
                41            42            43            44            45 
      1   0.799204D+01 -0.446843D+01  0.385944D+00 -0.277999D+01  0.251255D+02
      2  -0.154424D+02 -0.303631D+01  0.194666D+01 -0.637757D+01  0.570777D+00
      3   0.745034D+01  0.750475D+01 -0.233261D+01  0.915755D+01 -0.256963D+02
      4  -0.155099D+02 -0.172444D+02 -0.916399D+01 -0.168270D+02  0.172672D+01
      5  -0.182386D+02  0.127088D+01  0.152351D+02 -0.103365D+01  0.138796D+02
      6  -0.262714D+01  0.524867D+01  0.442347D+01  0.391456D+01  0.362626D+01
                46            47            48            49            50 
      1  -0.183622D+02  0.437024D+01  0.196657D+01  0.715543D+00 -0.727112D+01
      2   0.452135D+01 -0.323827D+01 -0.121524D+01  0.374083D+01  0.141368D+02
      3   0.138409D+02 -0.113197D+01 -0.751325D+00 -0.445637D+01 -0.686568D+01
      4  -0.129180D+01  0.466393D+01 -0.569716D+00 -0.996249D+01  0.148571D+01
      5   0.796168D+01 -0.766738D+00  0.369248D+01 -0.641403D+01 -0.142820D+01
      6  -0.325680D+01  0.113416D+00 -0.267826D+01  0.177388D+01  0.413148D+01
                51            52            53            54            55 
      1  -0.528903D+00  0.117352D+01 -0.123883D+01 -0.755348D+01  0.669254D+01
      2   0.660090D+01  0.247330D+01  0.294335D+01 -0.328399D+01 -0.196394D+01
      3  -0.607200D+01 -0.364682D+01 -0.170453D+01  0.108375D+02 -0.472860D+01
      4  -0.179037D+01 -0.446921D+01 -0.123110D+01 -0.292108D+00  0.284499D+01
      5  -0.309681D-03  0.656445D+01 -0.334486D+00  0.189419D+00 -0.594724D+00
      6  -0.246958D+01 -0.108079D+01  0.578403D+01 -0.280322D+01  0.524474D+00
                56            57            58            59            60 
      1   0.279822D+01 -0.834990D+00  0.593005D+01 -0.975934D+01 -0.727754D+00
      2  -0.110244D+01  0.137953D+00 -0.985445D+00  0.256554D+02  0.592768D+01
      3  -0.169578D+01  0.697037D+00 -0.494461D+01 -0.158960D+02 -0.519993D+01
      4   0.215866D+01  0.167686D+01  0.950788D+01  0.317307D+02  0.573652D+01
      5   0.103083D+01 -0.629218D+00 -0.131735D+01  0.647267D+01  0.867849D+01
      6   0.506363D+00 -0.925181D+00 -0.710972D+00 -0.360147D+01  0.424988D+01
                61            62            63            64            65 
      1   0.363205D+01 -0.388638D+00 -0.429724D+01 -0.288210D+00  0.823918D+00
      2  -0.119465D+01  0.591479D+01  0.285702D+01 -0.300999D+01 -0.474623D+00
      3  -0.243740D+01 -0.552615D+01  0.144022D+01  0.329820D+01 -0.349295D+00
      4   0.506803D+01  0.116153D+02  0.528788D+01 -0.141333D+01 -0.150255D+01
      5   0.407840D+00  0.577004D+01  0.381026D+01 -0.127040D+01  0.103663D+01
      6   0.120902D+00  0.336423D+01  0.256219D+01 -0.719190D+00  0.238851D+01
                66            67            68            69            70 
      1  -0.104249D+02 -0.122099D+01 -0.492690D+01  0.289441D+01 -0.895475D+01
      2  -0.825007D+00  0.904367D+00  0.216590D+01 -0.103110D+01  0.446085D+01
      3   0.112499D+02  0.316627D+00  0.276100D+01 -0.186330D+01  0.449390D+01
      4  -0.428992D+00  0.113049D+01  0.299622D+01 -0.294029D+01 -0.328095D+01
      5  -0.274587D+01  0.853491D+00 -0.228053D+01  0.235494D+01  0.756258D+01
      6  -0.278129D+01  0.512847D+00 -0.212780D+01  0.749264D+01 -0.536580D-01
                71            72            73            74            75 
      1   0.384929D+01 -0.268621D+02  0.865818D+02 -0.477963D+01 -0.713775D+01
      2  -0.227440D+00 -0.141991D+02 -0.479337D+02  0.373749D+01  0.657564D+01
      3  -0.362185D+01  0.410612D+02 -0.386481D+02  0.104214D+01  0.562112D+00
      4  -0.522081D+01  0.290307D+01  0.374471D+01  0.106739D+02 -0.476691D+00
      5   0.506143D+01 -0.339637D+02 -0.251204D+02  0.991816D+00  0.134383D+02
      6   0.762037D+01 -0.124354D+02  0.103400D+01 -0.288435D+01  0.992771D+00
                76            77            78            79            80 
      1  -0.152132D+02  0.644291D+01  0.141308D+01  0.279832D+00  0.310260D+00
      2   0.900293D+01 -0.144417D+01 -0.119398D+01  0.179349D+01  0.439341D+00
      3   0.621029D+01 -0.499874D+01 -0.219107D+00 -0.207332D+01 -0.749601D+00
      4   0.925382D+01 -0.232267D+01  0.596150D+00  0.661446D+00  0.129822D+01
      5   0.556888D+01 -0.604227D+00 -0.351642D+01  0.108993D+02 -0.467986D+00
      6  -0.241543D+01  0.124432D+01  0.823147D+00  0.376247D+00  0.982736D+00
                81            82            83            84            85 
      1   0.421120D+01  0.126496D+02  0.112613D+02  0.178152D+01 -0.181912D+00
      2  -0.488946D+01 -0.874334D+01 -0.824530D+01  0.132830D+01  0.848617D+01
      3   0.678266D+00 -0.390623D+01 -0.301601D+01 -0.310982D+01 -0.830425D+01
      4  -0.173440D+00  0.554378D+01 -0.190430D+02 -0.331750D+01  0.101819D+02
      5  -0.490306D+01 -0.241810D+01 -0.284229D+01 -0.551091D+01  0.550228D+00
      6  -0.637131D+00 -0.107044D+01  0.104588D+00 -0.478867D+01  0.462393D+01
                86            87            88            89            90 
      1   0.729548D+01  0.378211D+01 -0.166456D+01  0.350852D+01 -0.156777D+02
      2  -0.128023D+02 -0.611436D+01  0.362939D+01 -0.939071D+01  0.145357D+01
      3   0.550685D+01  0.233224D+01 -0.196484D+01  0.588219D+01  0.142242D+02
      4   0.145354D+02  0.194692D+01 -0.311494D+00  0.196023D+01  0.659435D+01
      5   0.205154D+01  0.115054D+01  0.409203D+01  0.581888D+01  0.315134D+01
      6  -0.812983D+01  0.576360D+01 -0.198695D+01  0.147984D+02  0.401111D+01
                91            92            93            94            95 
      1  -0.216029D+01 -0.244628D+02 -0.584945D+01  0.287099D+02  0.499390D+01
      2  -0.823657D+00  0.158668D+02  0.436510D-02 -0.271528D+02 -0.801138D+01
      3   0.298395D+01  0.859599D+01  0.584508D+01 -0.155711D+01  0.301748D+01
      4  -0.144747D+02  0.459783D+01  0.139728D+01  0.175275D+01 -0.936329D+01
      5  -0.657903D-01  0.297085D+00  0.548285D+01 -0.486742D+01 -0.750377D+01
      6   0.529992D-01  0.173151D+01  0.719818D+01 -0.697870D+01 -0.667365D+01
                96            97            98            99           100 
      1   0.109407D+01  0.647240D+01  0.221251D+01  0.200667D+01 -0.929056D+01
      2  -0.159394D+01 -0.913617D+01 -0.641098D+01 -0.917812D+01  0.542423D+01
      3   0.499873D+00  0.266377D+01  0.419847D+01  0.717146D+01  0.386632D+01
      4  -0.853934D+01 -0.272703D+01 -0.783028D+01  0.146111D+02  0.181528D+01
      5   0.131968D+02  0.202483D+02  0.148350D+02  0.939819D+01  0.212496D+01
      6   0.457252D+01  0.676212D+01  0.124664D+02  0.192954D+00  0.577551D+00
               101           102           103           104           105 
      1   0.463776D+01  0.292924D+01 -0.939211D+01 -0.213296D+02 -0.749124D+01
      2  -0.333465D+01 -0.796314D+00  0.863839D+01  0.188769D+02  0.964359D+01
      3  -0.130311D+01 -0.213293D+01  0.753716D+00  0.245272D+01 -0.215236D+01
      4   0.234264D+02  0.476603D+00 -0.214071D+02  0.362616D+01  0.351837D+01
      5   0.213358D+00  0.198482D+02 -0.111434D+02  0.102283D+01 -0.257100D+01
      6   0.198950D+00 -0.260784D+01  0.307330D+01  0.466898D+01 -0.475984D+01
               106           107           108           109           110 
      1   0.688173D+00 -0.733241D+01  0.142711D+02  0.907149D+01  0.224761D+02
      2   0.157948D+01  0.550587D+01 -0.171975D+02 -0.846109D+01 -0.148315D+02
      3  -0.226765D+01  0.182654D+01  0.292641D+01 -0.610405D+00 -0.764457D+01
      4  -0.120048D+02  0.174650D+01 -0.316691D+01  0.161487D+02 -0.531047D+01
      5   0.362295D+02 -0.316691D+01 -0.319597D+01  0.423891D+01 -0.702426D+00
      6  -0.216435D+01  0.649309D+01 -0.418922D+01 -0.388617D+01 -0.294512D+00
               111           112           113           114           115 
      1   0.366721D+01 -0.219328D+02  0.109457D+02  0.322279D+01 -0.418599D+01
      2  -0.461091D+00  0.198027D+02 -0.151567D+02 -0.630846D+01  0.643494D+01
      3  -0.320611D+01  0.213016D+01  0.421095D+01  0.308567D+01 -0.224895D+01
      4  -0.223105D+01  0.128613D+02  0.201167D+01  0.576328D+01 -0.106584D+01
      5  -0.184896D+01 -0.843403D-01  0.632064D+01 -0.122612D+02  0.136522D+02
      6  -0.507062D+01  0.454812D+01 -0.981409D+01  0.737831D+01 -0.587296D+01
               116           117           118           119           120 
      1   0.153367D+01 -0.609047D+01 -0.200612D+01 -0.191277D+02 -0.397546D+01
      2  -0.830901D+01 -0.450952D+01  0.502597D+00  0.141252D+02 -0.554569D+00
      3   0.677534D+01  0.106000D+02  0.150353D+01  0.500253D+01  0.453003D+01
      4   0.768434D+01 -0.147777D+02 -0.113461D+02 -0.122669D+02 -0.614190D+00
      5  -0.149132D+02 -0.835287D+01 -0.299340D+01 -0.135524D+01 -0.334274D+01
      6   0.157122D+02  0.344806D+01  0.215062D+01  0.520410D+00  0.788845D+01
               121           122           123           124           125 
      1   0.449846D+01  0.220461D+01  0.296838D+01  0.305815D+00  0.389284D+01
      2  -0.140370D+02 -0.538096D+01 -0.323388D+01 -0.588680D+01 -0.626542D+01
      3   0.953849D+01  0.317635D+01  0.265494D+00  0.558099D+01  0.237258D+01
      4   0.474374D+01 -0.133789D+02 -0.221535D+01  0.242596D+01 -0.138862D+01
      5   0.297039D+01 -0.211922D+01  0.158137D+01  0.182487D+01 -0.182542D+01
      6  -0.670716D+01 -0.493797D+01  0.439145D+01  0.527831D+01  0.112571D+02
               126           127           128           129           130 
      1  -0.149109D+02 -0.509945D+01  0.880866D+01  0.195854D+01  0.746494D+01
      2   0.167891D+01  0.663977D+01 -0.108711D+02 -0.159288D+01 -0.924220D+01
      3   0.132320D+02 -0.154032D+01  0.206247D+01 -0.365654D+00  0.177726D+01
      4  -0.293582D+01 -0.374240D+01  0.723709D+01  0.114148D+01  0.510864D+01
      5   0.339903D+00 -0.819724D+00  0.114751D+01  0.168367D+01  0.943230D+00
      6   0.663505D+00  0.202824D+01 -0.273176D+01 -0.213831D+01 -0.241230D+01
               131           132           133           134           135 
      1  -0.329112D+02 -0.632396D+01  0.149601D+01 -0.604743D+01 -0.218591D+01
      2   0.438561D+02  0.588082D+01 -0.194372D+01  0.756281D+01  0.278836D+01
      3  -0.109449D+02  0.443138D+00  0.447706D+00 -0.151538D+01 -0.602449D+00
      4   0.558691D+00  0.412534D+00  0.111288D+01  0.109536D+00 -0.119257D+01
      5   0.596383D+00 -0.116165D+00  0.545060D+00 -0.501143D+00 -0.463278D+00
      6   0.104513D+02  0.792117D+01 -0.609267D+00  0.339011D+01  0.219587D+01
               136           137           138           139           140 
      1   0.216910D+02  0.136123D+02  0.229680D+01  0.927949D+01  0.368408D+01
      2  -0.413348D+01  0.918375D+00 -0.796476D+00  0.580467D+01  0.159771D+02
      3  -0.175575D+02 -0.145307D+02 -0.150033D+01 -0.150842D+02 -0.196612D+02
      4   0.322521D+02  0.296701D+02  0.399731D+01  0.329759D+02  0.427621D+02
      5   0.609124D+01  0.455582D+01  0.608738D+01  0.629618D+01  0.736924D+01
      6   0.250880D+01  0.223847D+01  0.312328D+01  0.396010D+01  0.557997D+01
               141           142           143           144           145 
      1   0.692896D+00  0.128676D+01  0.157859D+00 -0.797252D-01  0.970996D+02
      2   0.683814D+00  0.101281D+01  0.250613D+01  0.101904D+01 -0.543003D+02
      3  -0.137671D+01 -0.229957D+01 -0.266399D+01 -0.939320D+00 -0.427993D+02
      4   0.644652D+01  0.548457D+01  0.685012D+01  0.235551D+01 -0.150038D+02
      5   0.572898D+01  0.197150D+01  0.198197D+01  0.122827D+01 -0.476789D+01
      6   0.591706D+01  0.146733D+01  0.211073D+01  0.167261D+01 -0.193114D+01
               146           147           148           149           150 
      1  -0.898793D+01 -0.386004D+01 -0.854951D+01  0.939221D+01  0.164781D+01
      2   0.432962D+01  0.253124D+01  0.371209D+01 -0.415011D+01 -0.140099D+01
      3   0.465831D+01  0.132881D+01  0.483743D+01 -0.524210D+01 -0.246827D+00
      4   0.990246D+01  0.433209D+00  0.156267D+02 -0.459724D+01 -0.985472D+00
      5   0.233314D+00  0.970097D+01  0.313892D+01 -0.893777D+00 -0.129185D+01
      6  -0.675217D-01 -0.700334D+00 -0.424459D+00 -0.111672D+00  0.165109D+01
               151           152           153           154           155 
      1  -0.432250D+01  0.171182D+01  0.229546D+01  0.506924D+01 -0.422920D+01
      2   0.227833D+01 -0.936202D+00 -0.130899D+01  0.350822D+01 -0.552886D+01
      3   0.204417D+01 -0.775618D+00 -0.986471D+00 -0.857746D+01  0.975806D+01
      4   0.334272D+01 -0.115761D+01 -0.508138D+00 -0.178536D+02  0.227149D+02
      5   0.124717D+01 -0.288390D+00 -0.842552D+00 -0.339247D+01  0.378371D+01
      6  -0.408973D-01  0.514663D+00  0.415552D+00  0.258849D+01 -0.296341D+01
               156           157           158           159           160 
      1  -0.877203D+00  0.857427D+00 -0.157827D+02 -0.301022D+01  0.117930D-01
      2  -0.361807D+00 -0.113174D+02  0.377464D+02  0.481937D+01 -0.180930D+01
      3   0.123901D+01  0.104600D+02 -0.219637D+02 -0.180915D+01  0.179750D+01
      4   0.417216D+01  0.237970D+02 -0.460022D+02 -0.845032D+01  0.478903D+01
      5   0.420626D+01  0.430233D+01 -0.767579D+01 -0.541781D+01  0.162207D+01
      6  -0.251640D+01 -0.432074D+01  0.105850D+02  0.828384D+01 -0.159294D+01
               161           162           163           164           165 
      1  -0.275384D+01 -0.143853D+01 -0.393239D+01 -0.616994D+01 -0.921240D+00
      2   0.653622D+01  0.249920D+01  0.609596D+01  0.897310D+01  0.695644D+00
      3  -0.378239D+01 -0.106067D+01 -0.216357D+01 -0.280316D+01  0.225596D+00
      4  -0.918986D+01 -0.266749D+01  0.879019D+01  0.839321D+01  0.703079D+00
      5  -0.188879D+01 -0.145935D+01  0.407304D+00  0.495355D+00  0.182668D+01
      6   0.341607D+01  0.247848D+01  0.118867D+01  0.170760D+01  0.188475D+01
               166           167           168           169           170 
      1  -0.747277D+01 -0.198079D+02 -0.338004D+01 -0.890107D+00 -0.312759D+01
      2   0.104721D+02  0.267191D+02  0.278267D+01  0.172103D+01  0.405877D+01
      3  -0.299933D+01 -0.691115D+01  0.597372D+00 -0.830919D+00 -0.931176D+00
      4   0.852492D+01  0.848519D+01  0.781587D+00  0.109097D+01  0.105718D+01
      5   0.673544D+00  0.908626D+00  0.166535D+01  0.510568D+00  0.766899D+00
      6   0.212086D+01  0.473056D+01  0.525722D+01  0.374272D+00  0.175471D+01
               171 
      1  -0.517126D+00
      2   0.141316D+01
      3  -0.896029D+00
      4   0.183436D+01
      5   0.563516D+00
      6   0.102277D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.643137D+00      0.163469D+01      0.545275D+01
   x         -0.414972D+00     -0.105475D+01     -0.351828D+01
   y          0.430442D+00      0.109407D+01      0.364944D+01
   z         -0.236947D+00     -0.602259D+00     -0.200892D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.947017D+02      0.140333D+02      0.156142D+02
   aniso      0.477336D+02      0.707338D+01      0.787020D+01
   xx         0.120315D+03      0.178288D+02      0.198373D+02
   yx         0.658091D+00      0.975190D-01      0.108504D+00
   yy         0.970347D+02      0.143791D+02      0.159989D+02
   zx        -0.168596D+01     -0.249834D+00     -0.277977D+00
   zy         0.591442D+01      0.876426D+00      0.975156D+00
   zz         0.667553D+02      0.989212D+01      0.110065D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.102929D+03      0.152526D+02      0.169708D+02
   aniso      0.486469D+02      0.720873D+01      0.802079D+01
   xx         0.129504D+03      0.191905D+02      0.213523D+02
   yx         0.983548D+00      0.145747D+00      0.162165D+00
   yy         0.104661D+03      0.155092D+02      0.172563D+02
   zx        -0.149236D+01     -0.221144D+00     -0.246056D+00
   zy         0.551542D+01      0.817301D+00      0.909371D+00
   zz         0.746232D+02      0.110580D+02      0.123037D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     8          1.06769431         -2.11508468         -4.15855482
     6          2.09106880         -0.30135558         -2.41856796
     1          0.42917632         -3.52524239         -3.19773248
     1          2.30108628          1.40968632         -3.55141128
     6          4.69568660         -1.11614513         -1.50044667
     6          0.22793453          0.25468875         -0.31926551
     1          4.60407522         -2.88607999         -0.44456533
     1          5.52493693          0.31960982         -0.27291979
     1          5.93541503         -1.40762384         -3.11920623
     6         -1.33996906          2.36446622         -0.47735407
     6         -3.12791380          2.86092163          1.37958643
     6         -3.38144689          1.23735887          3.42798868
     6         -1.83254271         -0.87626101          3.60663543
     6         -0.03887991         -1.35708526          1.75072863
     1         -1.15766375          3.62580393         -2.07949126
     1         -4.32445908          4.51305342          1.22607504
     1         -4.77269304          1.61821220          4.87797413
     1         -2.01243294         -2.14636733          5.20028364
     1          1.16740130         -2.99990985          1.93360185

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.643137D+00      0.163469D+01      0.545275D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.643137D+00      0.163469D+01      0.545275D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.947017D+02      0.140333D+02      0.156142D+02
   aniso      0.477336D+02      0.707338D+01      0.787020D+01
   xx         0.950926D+02      0.140913D+02      0.156787D+02
   yx        -0.168015D+02     -0.248972D+01     -0.277019D+01
   yy         0.906823D+02      0.134377D+02      0.149515D+02
   zx        -0.209882D+02     -0.311013D+01     -0.346048D+01
   zy        -0.468700D+01     -0.694541D+00     -0.772781D+00
   zz         0.983301D+02      0.145710D+02      0.162124D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.102929D+03      0.152526D+02      0.169708D+02
   aniso      0.486469D+02      0.720873D+01      0.802079D+01
   xx         0.103708D+03      0.153679D+02      0.170991D+02
   yx        -0.173647D+02     -0.257318D+01     -0.286305D+01
   yy         0.984332D+02      0.145863D+02      0.162294D+02
   zx        -0.212973D+02     -0.315594D+01     -0.351146D+01
   zy        -0.405081D+01     -0.600268D+00     -0.667888D+00
   zz         0.106648D+03      0.158035D+02      0.175838D+02

 ----------------------------------------------------------------------
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 025588,-0.00021669,-0.00032787,0.00044353,-0.00006122,0.00024992,-0.00
 125616,0.00007265,0.00002667,0.00017153,-0.00021917,0.00086604,-0.0036
 5519,0.02065712,0.03435647,0.03040258\\0.00001061,0.00000389,0.0000154
 7,-0.00001199,0.00001640,-0.00001374,-0.00000055,-0.00000484,-0.000004
 65,0.00000138,-0.00000107,0.00000040,-0.00000174,-0.00001471,0.0000009
 2,0.00000653,-0.00000477,0.00000710,-0.00000365,0.00000353,0.00000510,
 0.00000017,0.00000222,0.00000085,0.00000207,0.00000250,-0.00000163,0.0
 0000139,-0.00000762,-0.00000698,-0.00000548,-0.00000104,-0.00000168,-0
 .00000231,-0.00000101,-0.00000027,0.00000075,0.00000218,-0.00000131,-0
 .00000102,0.00000501,-0.00000334,-0.00000105,-0.00000021,0.00000337,0.
 00000135,-0.00000180,-0.00000054,-0.00000004,0.00000169,0.00000004,-0.
 00000205,0.00000014,0.00000017,0.00000562,-0.00000049,0.00000073\\\@


 AN AIRPLANE IS A COLLECTION OF SPARE PARTS
 FLYING IN CLOSE FORMATION.
 Job cpu time:       0 days  5 hours 59 minutes 13.1 seconds.
 Elapsed time:       0 days  0 hours 44 minutes 56.6 seconds.
 File lengths (MBytes):  RWF=    251 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 22:55:05 2021.
